 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer02_M11-def2SVPDr.in
 Output=30_ibuprofen_conformer02_M11-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/30_ibuprofen/Gau-19661.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/30_ibuprofen/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     19662.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer02_M11-def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Sep 27 14:02:10 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer02_M11-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.868055000000     -1.025183000000      0.932371000000
  C                                                -1.434107000000     -0.545371000000     -0.248073000000
  C                                                 0.458923000000     -0.767507000000      1.247518000000
  C                                                 1.261147000000     -0.015622000000      0.393477000000
  C                                                 0.704012000000      0.460918000000     -0.791509000000
  C                                                -0.622388000000      0.197168000000     -1.104326000000
  C                                                -2.884143000000     -0.797677000000     -0.560930000000
  C                                                -3.859347000000      0.079867000000      0.248474000000
  C                                                -5.302322000000     -0.340915000000     -0.025297000000
  C                                                -3.656246000000      1.566161000000     -0.039220000000
  C                                                 2.704700000000      0.290879000000      0.757917000000
  C                                                 3.609551000000     -0.230826000000     -0.341871000000
  O                                                 4.016576000000      0.405594000000     -1.279125000000
  O                                                 3.899108000000     -1.541087000000     -0.173315000000
  H                                                -1.472172000000     -1.614332000000      1.612565000000
  H                                                 0.878164000000     -1.158470000000      2.166794000000
  H                                                 1.314336000000      1.031987000000     -1.479725000000
  H                                                -1.035819000000      0.574991000000     -2.031681000000
  H                                                -3.119764000000     -1.847600000000     -0.364999000000
  H                                                -3.064334000000     -0.629403000000     -1.626821000000
  H                                                -3.648628000000     -0.091406000000      1.310090000000
  H                                                -5.462258000000     -1.394737000000      0.212636000000
  H                                                -5.554412000000     -0.194814000000     -1.079386000000
  H                                                -6.003960000000      0.248931000000      0.567812000000
  H                                                -4.340507000000      2.174366000000      0.555493000000
  H                                                -3.848256000000      1.784180000000     -1.093903000000
  H                                                -2.638064000000      1.883648000000      0.187153000000
  H                                                 2.943576000000     -0.269791000000      1.662471000000
  C                                                 2.939441000000      1.783706000000      0.996225000000
  H                                                 4.431862000000     -1.814062000000     -0.936873000000
  H                                                 2.272779000000      2.139344000000      1.781775000000
  H                                                 2.744635000000      2.353840000000      0.089526000000
  H                                                 3.970359000000      1.973688000000      1.298054000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Sep 27 14:02:10 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.868055   -1.025183    0.932371
      2          6           0       -1.434107   -0.545371   -0.248073
      3          6           0        0.458923   -0.767507    1.247518
      4          6           0        1.261147   -0.015622    0.393477
      5          6           0        0.704012    0.460918   -0.791509
      6          6           0       -0.622388    0.197168   -1.104326
      7          6           0       -2.884143   -0.797677   -0.560930
      8          6           0       -3.859347    0.079867    0.248474
      9          6           0       -5.302322   -0.340915   -0.025297
     10          6           0       -3.656246    1.566161   -0.039220
     11          6           0        2.704700    0.290879    0.757917
     12          6           0        3.609551   -0.230826   -0.341871
     13          8           0        4.016576    0.405594   -1.279125
     14          8           0        3.899108   -1.541087   -0.173315
     15          1           0       -1.472172   -1.614332    1.612565
     16          1           0        0.878164   -1.158470    2.166794
     17          1           0        1.314336    1.031987   -1.479725
     18          1           0       -1.035819    0.574991   -2.031681
     19          1           0       -3.119764   -1.847600   -0.364999
     20          1           0       -3.064334   -0.629403   -1.626821
     21          1           0       -3.648628   -0.091406    1.310090
     22          1           0       -5.462258   -1.394737    0.212636
     23          1           0       -5.554412   -0.194814   -1.079386
     24          1           0       -6.003960    0.248931    0.567812
     25          1           0       -4.340507    2.174366    0.555493
     26          1           0       -3.848256    1.784180   -1.093903
     27          1           0       -2.638064    1.883648    0.187153
     28          1           0        2.943576   -0.269791    1.662471
     29          6           0        2.939441    1.783706    0.996225
     30          1           0        4.431862   -1.814062   -0.936873
     31          1           0        2.272779    2.139344    1.781775
     32          1           0        2.744635    2.353840    0.089526
     33          1           0        3.970359    1.973688    1.298054
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.394304   0.000000
     3  C    1.388015   2.422746   0.000000
     4  C    2.417255   2.820747   1.392221   0.000000
     5  C    2.766162   2.424767   2.393058   1.393442   0.000000
     6  C    2.388018   1.394066   2.762427   2.415864   1.388076
     7  C    2.519190   1.504707   3.800985   4.325035   3.809473
     8  C    3.261392   2.553286   4.512603   5.123437   4.695850
     9  C    4.587818   3.880015   5.915571   6.584855   6.107869
    10  C    3.928494   3.072473   4.902685   5.183630   4.560631
    11  C    3.811434   4.340628   2.530495   1.520067   2.536215
    12  C    4.722674   5.054327   3.569403   2.470233   3.020404
    13  O    5.549546   5.628263   4.518516   3.250755   3.348718
    14  O    4.920827   5.425884   3.801587   3.099538   3.820841
    15  H    1.083844   2.146183   2.139977   3.393093   3.849937
    16  H    2.142626   3.399128   1.083367   2.144162   3.377026
    17  H    3.848764   3.399848   3.377538   2.146905   1.082708
    18  H    3.372581   2.143619   3.845738   3.392089   2.139638
    19  H    2.725753   2.133287   4.071095   4.808722   4.486918
    20  H    3.395548   2.136738   4.549092   4.813327   4.010857
    21  H    2.957397   2.745553   4.163292   4.995179   4.864900
    22  H    4.664900   4.142424   6.043574   6.865773   6.517258
    23  H    5.167071   4.217924   6.473226   6.975190   6.299264
    24  H    5.304130   4.709580   6.577538   7.272012   6.847597
    25  H    4.736779   4.060769   5.671688   6.016712   5.495224
    26  H    4.569453   3.459820   5.526767   5.617614   4.750327
    27  H    3.485625   2.745736   4.212401   4.342078   3.761836
    28  H    3.953757   4.784374   2.567763   2.122620   3.401706
    29  C    4.731909   5.108894   3.567185   2.533290   3.153237
    30  H    5.674991   6.040995   4.653073   3.880419   4.369614
    31  H    4.538784   5.006893   3.467750   2.755839   3.449628
    32  H    5.017939   5.097184   4.038345   2.812023   2.919507
    33  H    5.704139   6.159904   4.454984   3.480725   4.162183
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.529927   0.000000
     8  C    3.510232   1.541506   0.000000
     9  C    4.832765   2.518556   1.527804   0.000000
    10  C    3.494694   2.540877   1.527445   2.519266   0.000000
    11  C    3.813954   5.844611   6.587167   8.070006   6.536314
    12  C    4.321322   6.522068   7.498632   8.918174   7.490832
    13  O    4.646933   7.041561   8.029310   9.432456   7.858529
    14  O    4.932772   6.834866   7.937192   9.280552   8.170456
    15  H    3.374191   2.717475   3.229498   4.355942   4.196917
    16  H    3.845730   4.661073   5.259034   6.608484   5.731578
    17  H    2.142136   4.671090   5.537165   6.912336   5.202603
    18  H    1.083357   2.731964   3.662863   4.802865   3.437871
    19  H    3.311279   1.093730   2.153709   2.673772   3.470981
    20  H    2.630460   1.094033   2.156813   2.767073   2.773326
    21  H    3.882114   2.141021   1.095794   2.140144   2.137340
    22  H    5.262404   2.757093   2.178317   1.092123   3.477359
    23  H    4.947639   2.786140   2.170693   1.093617   2.790343
    24  H    5.635605   3.478894   2.174839   1.091784   2.759591
    25  H    4.526447   3.492912   2.170876   2.754822   1.091701
    26  H    3.595127   2.807055   2.169512   2.787877   1.093964
    27  H    2.928324   2.794582   2.179201   3.477368   1.090292
    28  H    4.537545   6.259751   6.957112   8.417152   7.058620
    29  C    4.429000   6.557622   7.048810   8.572291   6.680012
    30  H    5.442291   7.395830   8.586976   9.887137   8.811877
    31  H    4.525883   6.380298   6.647964   8.173087   6.228796
    32  H    4.172932   6.483694   6.986329   8.486955   6.450449
    33  H    5.479122   7.623679   8.123575   9.648381   7.753676
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516728   0.000000
    13  O    2.425638   1.203804   0.000000
    14  O    2.376952   1.352419   2.241915   0.000000
    15  H    4.669744   5.617635   6.524441   5.660864   0.000000
    16  H    2.724295   3.822878   4.916328   3.840392   2.457450
    17  H    2.736676   2.856120   2.781135   3.874076   4.932534
    18  H    4.674833   5.008419   5.110942   5.681973   4.273648
    19  H    6.305427   6.920851   7.539221   7.028176   2.584518
    20  H    6.309964   6.808135   7.164593   7.171706   3.741482
    21  H    6.388726   7.445104   8.105948   7.827540   2.673529
    22  H    8.356903   9.162963   9.762932   9.370462   4.234242
    23  H    8.474934   9.193663   9.591882   9.591791   5.091789
    24  H    8.710836   9.668365  10.190528  10.090797   5.010026
    25  H    7.295440   8.354258   8.737003   9.067911   4.868160
    26  H    6.971400   7.761745   7.986889   8.480951   4.951831
    27  H    5.604267   6.616915   6.972722   7.388732   3.953096
    28  H    1.090702   2.112446   3.203195   2.428857   4.616179
    29  C    1.529845   2.509559   2.869953   3.652812   5.602577
    30  H    3.207207   1.880654   2.283960   0.970239   6.434061
    31  H    2.156772   3.451744   3.926299   4.473577   5.305033
    32  H    2.168905   2.759471   2.699389   4.070915   5.987278
    33  H    2.173818   2.771176   3.017102   3.810990   6.526404
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276149   0.000000
    18  H    4.929037   2.456976   0.000000
    19  H    4.782082   5.403321   3.604109   0.000000
    20  H    5.496792   4.685574   2.393606   1.754785   0.000000
    21  H    4.729103   5.803110   4.293983   2.483916   3.042415
    22  H    6.638939   7.394275   5.339490   2.454796   3.117592
    23  H    7.269412   6.988921   4.681575   3.028128   2.586318
    24  H    7.204245   7.639571   5.616592   3.685670   3.772173
    25  H    6.398329   6.117548   4.491373   4.302758   3.775213
    26  H    6.452161   5.231349   3.201776   3.775159   2.593052
    27  H    5.053446   4.373245   3.033644   3.802515   3.128519
    28  H    2.304348   3.771266   5.495089   6.585151   6.858844
    29  C    3.778293   3.055548   5.141196   7.193975   6.982033
    30  H    4.763541   4.256014   6.066442   7.573323   7.620525
    31  H    3.601218   3.575225   5.285496   7.041582   6.911531
    32  H    4.487213   2.501120   4.685686   7.228407   6.752015
    33  H    4.486289   3.956933   6.172950   8.224222   8.050955
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.488439   0.000000
    23  H    3.058153   1.765681   0.000000
    24  H    2.492869   1.766702   1.764161   0.000000
    25  H    2.486330   3.756910   3.124005   2.544509   0.000000
    26  H    3.055627   3.797046   2.612967   3.124955   1.764954
    27  H    2.486577   4.327185   3.798580   3.761178   1.765929
    28  H    6.604025   8.603811   8.929681   9.029161   7.762549
    29  C    6.856910   9.016932   8.964834   9.084244   7.303732
    30  H    8.562167   9.969494  10.117704  10.743668   9.751368
    31  H    6.345218   8.647700   8.654447   8.576233   6.726109
    32  H    6.952900   9.023308   8.759919   9.010955   7.102716
    33  H    7.893904  10.074655  10.053650  10.148649   8.346386
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.765096   0.000000
    28  H    7.612186   6.161864   0.000000
    29  C    7.102216   5.636768   2.158877   0.000000
    30  H    9.029527   8.057316   3.369919   4.348347   0.000000
    31  H    6.772203   5.169582   2.503624   1.089957   5.261379
    32  H    6.722442   5.404078   3.065481   1.088625   4.612118
    33  H    8.178515   6.701751   2.494049   1.090865   4.422096
                   31         32         33
    31  H    0.000000
    32  H    1.769848   0.000000
    33  H    1.772909   1.762797   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 6.37D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.868055   -1.025183    0.932371
      2          6           0       -1.434107   -0.545371   -0.248073
      3          6           0        0.458923   -0.767507    1.247518
      4          6           0        1.261147   -0.015622    0.393477
      5          6           0        0.704012    0.460918   -0.791509
      6          6           0       -0.622388    0.197168   -1.104326
      7          6           0       -2.884143   -0.797677   -0.560930
      8          6           0       -3.859347    0.079867    0.248474
      9          6           0       -5.302322   -0.340915   -0.025297
     10          6           0       -3.656246    1.566161   -0.039220
     11          6           0        2.704700    0.290879    0.757917
     12          6           0        3.609551   -0.230826   -0.341871
     13          8           0        4.016576    0.405594   -1.279125
     14          8           0        3.899108   -1.541087   -0.173315
     15          1           0       -1.472172   -1.614332    1.612565
     16          1           0        0.878164   -1.158470    2.166794
     17          1           0        1.314336    1.031987   -1.479725
     18          1           0       -1.035819    0.574991   -2.031681
     19          1           0       -3.119764   -1.847600   -0.364999
     20          1           0       -3.064334   -0.629403   -1.626821
     21          1           0       -3.648628   -0.091406    1.310090
     22          1           0       -5.462258   -1.394737    0.212636
     23          1           0       -5.554412   -0.194814   -1.079386
     24          1           0       -6.003960    0.248931    0.567812
     25          1           0       -4.340507    2.174366    0.555493
     26          1           0       -3.848256    1.784180   -1.093903
     27          1           0       -2.638064    1.883648    0.187153
     28          1           0        2.943576   -0.269791    1.662471
     29          6           0        2.939441    1.783706    0.996225
     30          1           0        4.431862   -1.814062   -0.936873
     31          1           0        2.272779    2.139344    1.781775
     32          1           0        2.744635    2.353840    0.089526
     33          1           0        3.970359    1.973688    1.298054
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.5767951           0.2455312           0.2396504
 Leave Link  202 at Mon Sep 27 14:02:10 2021, MaxMem=  6442450944 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   480 symmetry adapted cartesian basis functions of A   symmetry.
 There are   450 symmetry adapted basis functions of A   symmetry.
   450 basis functions,   666 primitive gaussians,   480 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       970.5837382899 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Sep 27 14:02:11 2021, MaxMem=  6442450944 cpu:               5.9 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   450 RedAO= T EigKep=  4.06D-06  NBF=   450
 NBsUse=   450 1.00D-06 EigRej= -1.00D+00 NBFU=   450
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   478   478   478   478   478 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Mon Sep 27 14:02:13 2021, MaxMem=  6442450944 cpu:               6.2 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Sep 27 14:02:13 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer02_M11-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Sep 27 14:02:14 2021, MaxMem=  6442450944 cpu:               6.4 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441981585 LenY=  6441750705
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -655.824514117357    
 DIIS: error= 4.72D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -655.824514117357     IErMin= 1 ErrMin= 4.72D-03
 ErrMax= 4.72D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.46D-02 BMatP= 2.46D-02
 IDIUse=3 WtCom= 9.53D-01 WtEn= 4.72D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.392 Goal=   None    Shift=    0.000
 GapD=    0.392 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.29D-02 MaxDP=7.65D-01              OVMax= 1.96D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.07D-02    CP:  1.21D+00
 E= -655.850139413357     Delta-E=       -0.025625296000 Rises=F Damp=F
 DIIS: error= 1.10D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -655.850139413357     IErMin= 2 ErrMin= 1.10D-03
 ErrMax= 1.10D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-03 BMatP= 2.46D-02
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.10D-02
 Coeff-Com: -0.295D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.292D-01 0.103D+01
 Gap=     0.373 Goal=   None    Shift=    0.000
 RMSDP=2.91D-03 MaxDP=1.61D-01 DE=-2.56D-02 OVMax= 1.00D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.07D-03    CP:  1.28D+00  1.14D+00
 E= -655.851061167099     Delta-E=       -0.000921753742 Rises=F Damp=F
 DIIS: error= 7.90D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -655.851061167099     IErMin= 3 ErrMin= 7.90D-04
 ErrMax= 7.90D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.65D-04 BMatP= 1.07D-03
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.90D-03
 Coeff-Com: -0.612D-01 0.484D+00 0.577D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.607D-01 0.480D+00 0.581D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=2.68D-04 MaxDP=1.73D-02 DE=-9.22D-04 OVMax= 4.62D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.35D-04    CP:  1.29D+00  1.16D+00  1.05D+00
 E= -655.851562756012     Delta-E=       -0.000501588913 Rises=F Damp=F
 DIIS: error= 1.63D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -655.851562756012     IErMin= 4 ErrMin= 1.63D-04
 ErrMax= 1.63D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.57D-05 BMatP= 7.65D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.63D-03
 Coeff-Com: -0.140D-01 0.407D-01 0.150D+00 0.823D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.140D-01 0.407D-01 0.150D+00 0.823D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=7.57D-05 MaxDP=3.11D-03 DE=-5.02D-04 OVMax= 1.25D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.69D-05    CP:  1.28D+00  1.16D+00  1.06D+00  1.17D+00
 E= -655.851584785988     Delta-E=       -0.000022029976 Rises=F Damp=F
 DIIS: error= 8.13D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -655.851584785988     IErMin= 5 ErrMin= 8.13D-05
 ErrMax= 8.13D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.49D-06 BMatP= 2.57D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.105D-02-0.370D-01-0.820D-02 0.363D+00 0.682D+00
 Coeff:      0.105D-02-0.370D-01-0.820D-02 0.363D+00 0.682D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=2.71D-05 MaxDP=1.13D-03 DE=-2.20D-05 OVMax= 8.13D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.23D-05    CP:  1.29D+00  1.16D+00  1.07D+00  1.22D+00  1.07D+00
 E= -655.851590131010     Delta-E=       -0.000005345022 Rises=F Damp=F
 DIIS: error= 2.92D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -655.851590131010     IErMin= 6 ErrMin= 2.92D-05
 ErrMax= 2.92D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.17D-07 BMatP= 6.49D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.194D-02-0.217D-01-0.205D-01 0.875D-01 0.323D+00 0.630D+00
 Coeff:      0.194D-02-0.217D-01-0.205D-01 0.875D-01 0.323D+00 0.630D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=7.73D-06 MaxDP=3.21D-04 DE=-5.35D-06 OVMax= 1.99D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.93D-06    CP:  1.29D+00  1.16D+00  1.07D+00  1.23D+00  1.10D+00
                    CP:  1.11D+00
 E= -655.851590773904     Delta-E=       -0.000000642894 Rises=F Damp=F
 DIIS: error= 4.32D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -655.851590773904     IErMin= 7 ErrMin= 4.32D-06
 ErrMax= 4.32D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.29D-08 BMatP= 8.17D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.367D-03-0.152D-02-0.447D-02-0.187D-01 0.960D-02 0.155D+00
 Coeff-Com:  0.860D+00
 Coeff:      0.367D-03-0.152D-02-0.447D-02-0.187D-01 0.960D-02 0.155D+00
 Coeff:      0.860D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=4.34D-06 MaxDP=2.22D-04 DE=-6.43D-07 OVMax= 7.60D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.29D-06    CP:  1.29D+00  1.16D+00  1.07D+00  1.23D+00  1.12D+00
                    CP:  1.17D+00  1.20D+00
 E= -655.851590821859     Delta-E=       -0.000000047955 Rises=F Damp=F
 DIIS: error= 1.26D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -655.851590821859     IErMin= 8 ErrMin= 1.26D-06
 ErrMax= 1.26D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.75D-09 BMatP= 3.29D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.836D-04 0.148D-02 0.879D-03-0.108D-01-0.236D-01-0.355D-01
 Coeff-Com:  0.145D+00 0.923D+00
 Coeff:     -0.836D-04 0.148D-02 0.879D-03-0.108D-01-0.236D-01-0.355D-01
 Coeff:      0.145D+00 0.923D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.30D-06 MaxDP=5.42D-05 DE=-4.80D-08 OVMax= 2.49D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.89D-07    CP:  1.29D+00  1.16D+00  1.07D+00  1.23D+00  1.12D+00
                    CP:  1.20D+00  1.24D+00  1.06D+00
 E= -655.851590826243     Delta-E=       -0.000000004383 Rises=F Damp=F
 DIIS: error= 5.28D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -655.851590826243     IErMin= 9 ErrMin= 5.28D-07
 ErrMax= 5.28D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.21D-10 BMatP= 2.75D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.686D-04 0.785D-03 0.790D-03-0.313D-02-0.104D-01-0.303D-01
 Coeff-Com: -0.142D-01 0.384D+00 0.673D+00
 Coeff:     -0.686D-04 0.785D-03 0.790D-03-0.313D-02-0.104D-01-0.303D-01
 Coeff:     -0.142D-01 0.384D+00 0.673D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=4.62D-07 MaxDP=2.02D-05 DE=-4.38D-09 OVMax= 8.69D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.14D-07    CP:  1.29D+00  1.16D+00  1.07D+00  1.23D+00  1.12D+00
                    CP:  1.20D+00  1.25D+00  1.11D+00  1.01D+00
 E= -655.851590827056     Delta-E=       -0.000000000813 Rises=F Damp=F
 DIIS: error= 1.63D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -655.851590827056     IErMin=10 ErrMin= 1.63D-07
 ErrMax= 1.63D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.77D-11 BMatP= 6.21D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.712D-05 0.103D-04 0.877D-04 0.541D-03 0.864D-03-0.365D-02
 Coeff-Com: -0.209D-01-0.280D-01 0.165D+00 0.886D+00
 Coeff:     -0.712D-05 0.103D-04 0.877D-04 0.541D-03 0.864D-03-0.365D-02
 Coeff:     -0.209D-01-0.280D-01 0.165D+00 0.886D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=2.39D-07 MaxDP=1.01D-05 DE=-8.13D-10 OVMax= 4.29D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.15D-07    CP:  1.29D+00  1.16D+00  1.07D+00  1.23D+00  1.12D+00
                    CP:  1.20D+00  1.25D+00  1.13D+00  1.07D+00  1.01D+00
 E= -655.851590827093     Delta-E=       -0.000000000037 Rises=F Damp=F
 DIIS: error= 6.40D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -655.851590827093     IErMin=11 ErrMin= 6.40D-08
 ErrMax= 6.40D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.26D-12 BMatP= 4.77D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.541D-05-0.862D-04-0.610D-04 0.499D-03 0.156D-02 0.195D-02
 Coeff-Com: -0.410D-02-0.525D-01-0.268D-01 0.275D+00 0.804D+00
 Coeff:      0.541D-05-0.862D-04-0.610D-04 0.499D-03 0.156D-02 0.195D-02
 Coeff:     -0.410D-02-0.525D-01-0.268D-01 0.275D+00 0.804D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=5.15D-08 MaxDP=2.01D-06 DE=-3.73D-11 OVMax= 1.62D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.97D-08    CP:  1.29D+00  1.16D+00  1.07D+00  1.23D+00  1.12D+00
                    CP:  1.20D+00  1.25D+00  1.13D+00  1.09D+00  1.08D+00
                    CP:  1.04D+00
 E= -655.851590827204     Delta-E=       -0.000000000111 Rises=F Damp=F
 DIIS: error= 2.25D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -655.851590827204     IErMin=12 ErrMin= 2.25D-08
 ErrMax= 2.25D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.65D-13 BMatP= 7.26D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.203D-05-0.181D-04-0.233D-04 0.146D-04 0.228D-03 0.806D-03
 Coeff-Com:  0.262D-02-0.686D-02-0.306D-01-0.759D-01 0.156D+00 0.953D+00
 Coeff:      0.203D-05-0.181D-04-0.233D-04 0.146D-04 0.228D-03 0.806D-03
 Coeff:      0.262D-02-0.686D-02-0.306D-01-0.759D-01 0.156D+00 0.953D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=2.46D-08 MaxDP=1.45D-06 DE=-1.11D-10 OVMax= 1.00D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.85D-08    CP:  1.29D+00  1.16D+00  1.07D+00  1.23D+00  1.12D+00
                    CP:  1.20D+00  1.25D+00  1.13D+00  1.09D+00  1.09D+00
                    CP:  1.12D+00  1.20D+00
 E= -655.851590827180     Delta-E=        0.000000000025 Rises=F Damp=F
 DIIS: error= 1.03D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -655.851590827204     IErMin=13 ErrMin= 1.03D-08
 ErrMax= 1.03D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-13 BMatP= 8.65D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.325D-06 0.794D-05 0.424D-05-0.638D-04-0.156D-03-0.126D-03
 Coeff-Com:  0.107D-02 0.558D-02-0.228D-02-0.511D-01-0.819D-01 0.189D+00
 Coeff-Com:  0.940D+00
 Coeff:     -0.325D-06 0.794D-05 0.424D-05-0.638D-04-0.156D-03-0.126D-03
 Coeff:      0.107D-02 0.558D-02-0.228D-02-0.511D-01-0.819D-01 0.189D+00
 Coeff:      0.940D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.21D-08 MaxDP=8.21D-07 DE= 2.46D-11 OVMax= 4.75D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  6.52D-09    CP:  1.29D+00  1.16D+00  1.07D+00  1.23D+00  1.12D+00
                    CP:  1.20D+00  1.25D+00  1.13D+00  1.09D+00  1.09D+00
                    CP:  1.14D+00  1.32D+00  1.16D+00
 E= -655.851590827193     Delta-E=       -0.000000000013 Rises=F Damp=F
 DIIS: error= 5.33D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=12 EnMin= -655.851590827204     IErMin=14 ErrMin= 5.33D-09
 ErrMax= 5.33D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.17D-14 BMatP= 1.14D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.371D-06 0.472D-05 0.449D-05-0.215D-04-0.784D-04-0.145D-03
 Coeff-Com: -0.646D-04 0.255D-02 0.367D-02-0.365D-02-0.458D-01-0.796D-01
 Coeff-Com:  0.277D+00 0.846D+00
 Coeff:     -0.371D-06 0.472D-05 0.449D-05-0.215D-04-0.784D-04-0.145D-03
 Coeff:     -0.646D-04 0.255D-02 0.367D-02-0.365D-02-0.458D-01-0.796D-01
 Coeff:      0.277D+00 0.846D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=4.86D-09 MaxDP=2.39D-07 DE=-1.34D-11 OVMax= 2.16D-07

 SCF Done:  E(RM11) =  -655.851590827     A.U. after   14 cycles
            NFock= 14  Conv=0.49D-08     -V/T= 2.0120
 KE= 6.480783642095D+02 PE=-3.462741861605D+03 EE= 1.188228168278D+03
 Leave Link  502 at Mon Sep 27 14:10:58 2021, MaxMem=  6442450944 cpu:            4181.2 elap:             523.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   450
 NBasis=   450 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    450 NOA=    56 NOB=    56 NVA=   394 NVB=   394

 **** Warning!!: The largest alpha MO coefficient is  0.64101710D+02

 Leave Link  801 at Mon Sep 27 14:10:59 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10080 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.68D-13 8.33D-09 XBig12= 1.00D+00 3.76D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.68D-13 8.33D-09 XBig12= 1.41D-01 7.81D-02.
     11 vectors produced by pass  2 Test12= 3.68D-13 8.33D-09 XBig12= 3.69D-02 8.32D-02.
     11 vectors produced by pass  3 Test12= 3.68D-13 8.33D-09 XBig12= 4.51D-03 1.90D-02.
     11 vectors produced by pass  4 Test12= 3.68D-13 8.33D-09 XBig12= 5.05D-04 5.85D-03.
     11 vectors produced by pass  5 Test12= 3.68D-13 8.33D-09 XBig12= 6.14D-05 1.38D-03.
     11 vectors produced by pass  6 Test12= 3.68D-13 8.33D-09 XBig12= 4.20D-06 3.60D-04.
     11 vectors produced by pass  7 Test12= 3.68D-13 8.33D-09 XBig12= 1.73D-07 6.03D-05.
     11 vectors produced by pass  8 Test12= 3.68D-13 8.33D-09 XBig12= 6.80D-09 1.67D-05.
     11 vectors produced by pass  9 Test12= 3.68D-13 8.33D-09 XBig12= 2.39D-10 3.11D-06.
     10 vectors produced by pass 10 Test12= 3.68D-13 8.33D-09 XBig12= 6.62D-12 4.79D-07.
      8 vectors produced by pass 11 Test12= 3.68D-13 8.33D-09 XBig12= 1.95D-13 8.17D-08.
      4 vectors produced by pass 12 Test12= 3.68D-13 8.33D-09 XBig12= 6.26D-14 1.85D-08.
      1 vectors produced by pass 13 Test12= 3.68D-13 8.33D-09 XBig12= 2.77D-14 1.02D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.14D-14
 Solved reduced A of dimension   133 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.217262D+03
      2  0.985062D+01  0.140323D+03
      3  0.354589D+01 -0.977504D+01  0.144036D+03
 Isotropic polarizability for W=    0.088559      167.21 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.267363D+03 -0.232199D+02 -0.548552D+02
      2   0.127917D+03  0.292105D+02  0.346001D+02
      3   0.139446D+03 -0.599063D+01  0.202551D+02
      4   0.193225D+02 -0.914056D+02  0.515506D+01
      5  -0.520505D+01  0.695722D+01 -0.862703D+02
      6   0.115427D+02  0.370039D+02  0.204264D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.368524D+01  0.384663D+01 -0.511547D+01
      2  -0.335439D+02 -0.287661D+01 -0.476612D+02
      3  -0.846681D+01  0.464327D+02 -0.312208D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.180215D+01  0.240381D+01 -0.264170D+02
      2  -0.496501D+02 -0.638768D+01 -0.225716D+03
      3   0.425424D+02  0.219323D+03  0.458552D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.254880D+01  0.151852D+01  0.541124D+01
      2   0.151852D+01 -0.131534D+01 -0.492032D+00
      3   0.541124D+01 -0.492032D+00  0.155070D+01
 OR G Eigenvalues:    -6.7196    -0.9139     5.3200  Iso=     0.7711
 Eigenvectors:
   (1)   0.797470  -0.273064  -0.538031
   (2)   0.184467   0.959372  -0.213488
   (3)   0.574468   0.071001   0.815442
 w=    0.088559 a.u., Optical Rotation Beta=      0.7711 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      189.56 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  101475 ScalPx= 5.98D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.31D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.13D-14 2.78D-09 XBig12= 1.00D+00 4.41D-01.
     30 vectors produced by pass  1 Test12= 6.13D-14 2.78D-09 XBig12= 6.21D-02 4.34D-02.
     30 vectors produced by pass  2 Test12= 6.13D-14 2.78D-09 XBig12= 2.82D-03 8.52D-03.
     30 vectors produced by pass  3 Test12= 6.13D-14 2.78D-09 XBig12= 9.00D-05 1.39D-03.
     30 vectors produced by pass  4 Test12= 6.13D-14 2.78D-09 XBig12= 2.10D-06 1.29D-04.
     30 vectors produced by pass  5 Test12= 6.13D-14 2.78D-09 XBig12= 4.94D-08 1.68D-05.
     30 vectors produced by pass  6 Test12= 6.13D-14 2.78D-09 XBig12= 6.29D-10 1.81D-06.
     30 vectors produced by pass  7 Test12= 6.13D-14 2.78D-09 XBig12= 7.28D-12 2.27D-07.
     30 vectors produced by pass  8 Test12= 6.13D-14 2.78D-09 XBig12= 8.04D-14 2.56D-08.
      4 vectors produced by pass  9 Test12= 6.13D-14 2.78D-09 XBig12= 1.10D-14 5.94D-09.
      3 vectors produced by pass 10 Test12= 6.13D-14 2.78D-09 XBig12= 2.31D-14 1.32D-08.
      1 vectors produced by pass 11 Test12= 6.13D-14 2.78D-09 XBig12= 1.94D-15 3.54D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   278 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 1.34D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 1.34D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.11D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.217262D+03  0.985062D+01  0.354589D+01
      2   0.985062D+01  0.140323D+03 -0.977504D+01
      3   0.354589D+01 -0.977504D+01  0.144036D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.368524D+01  0.384663D+01 -0.511547D+01
      2  -0.335439D+02 -0.287661D+01 -0.476612D+02
      3  -0.846681D+01  0.464327D+02 -0.312208D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.267363D+03 -0.232199D+02 -0.548552D+02
      2   0.127917D+03  0.292105D+02  0.346001D+02
      3   0.139446D+03 -0.599063D+01  0.202551D+02
      4   0.193225D+02 -0.914056D+02  0.515506D+01
      5  -0.520505D+01  0.695722D+01 -0.862703D+02
      6   0.115427D+02  0.370039D+02  0.204264D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.818803D+01  0.153961D+01  0.124651D+01 -0.232592D+01 -0.252747D+00
      2   0.153961D+01 -0.702897D+00  0.639035D+00 -0.252747D+00 -0.373206D+01
      3   0.124651D+01  0.639035D+00 -0.283244D+01 -0.202618D+01  0.638452D+00
                 6             7             8             9            10 
      1  -0.202618D+01  0.124509D+02  0.278617D+00  0.103016D+01 -0.280202D+02
      2   0.638452D+00  0.278617D+00 -0.130118D+01  0.146415D+01 -0.145668D+01
      3   0.632499D+00  0.103016D+01  0.146415D+01  0.114389D+01 -0.243320D+01
                11            12            13            14            15 
      1  -0.145668D+01 -0.243320D+01 -0.313181D+01 -0.386984D+01 -0.204133D+01
      2  -0.190018D+01  0.549096D+00 -0.386984D+01 -0.221306D+01 -0.556552D+00
      3   0.549096D+00 -0.252925D+01 -0.204133D+01 -0.556552D+00 -0.137761D+01
                16            17            18            19            20 
      1  -0.545476D+01 -0.215678D+01 -0.176176D+01 -0.105111D+02 -0.223797D+01
      2  -0.215678D+01 -0.442635D+00 -0.900020D+00 -0.223797D+01  0.224344D+01
      3  -0.176176D+01 -0.900020D+00 -0.958625D+00 -0.149238D+01 -0.154190D+01
                21            22            23            24            25 
      1  -0.149238D+01 -0.946462D+01  0.102372D+00 -0.380034D+00  0.673545D+01
      2  -0.154190D+01  0.102372D+00 -0.242007D+01  0.997056D+00  0.206333D+01
      3   0.426024D+00 -0.380034D+00  0.997056D+00  0.268142D+01 -0.178766D+00
                26            27            28            29            30 
      1   0.206333D+01 -0.178766D+00  0.241886D+02  0.295721D+01  0.275405D+01
      2   0.612624D+00  0.152631D+01  0.295721D+01  0.214900D+01  0.231121D-01
      3   0.152631D+01  0.267763D+01  0.275405D+01  0.231121D-01  0.249428D+01
                31            32            33            34            35 
      1   0.196866D+01  0.368437D+01  0.230421D+01  0.239419D+01  0.252307D+01
      2   0.368437D+01  0.166729D+01  0.130182D+01  0.252307D+01  0.176518D+01
      3   0.230421D+01  0.130182D+01  0.940755D+00  0.235656D+01 -0.477155D+00
                36            37            38            39            40 
      1   0.235656D+01 -0.725462D+01 -0.152314D+01 -0.172901D+01  0.348730D+01
      2  -0.477155D+00 -0.152314D+01  0.909413D-01  0.663970D-01  0.102399D+01
      3   0.800141D+00 -0.172901D+01  0.663970D-01  0.268038D+01  0.167529D+01
                41            42            43            44            45 
      1   0.102399D+01  0.167529D+01 -0.121102D+02 -0.113915D+01 -0.919357D+00
      2   0.353144D+01 -0.931939D+00 -0.113915D+01 -0.244217D+00 -0.783485D+00
      3  -0.931939D+00 -0.624407D+00 -0.919357D+00 -0.783485D+00 -0.161013D+01
                46            47            48            49            50 
      1   0.958464D+01  0.196582D+01  0.153948D+01  0.975766D+01 -0.620206D+00
      2   0.196582D+01 -0.117837D+01  0.565502D+00 -0.620206D+00  0.214847D+01
      3   0.153948D+01  0.565502D+00  0.491937D-01  0.112929D+01 -0.154225D+01
                51            52            53            54            55 
      1   0.112929D+01 -0.645381D+01 -0.145594D+01  0.128522D+00  0.162577D+02
      2  -0.154225D+01 -0.145594D+01 -0.758897D+00 -0.125556D+01 -0.136655D+01
      3  -0.247340D+01  0.128522D+00 -0.125556D+01 -0.260549D+01 -0.330363D+00
                56            57            58            59            60 
      1  -0.136655D+01 -0.330363D+00 -0.463477D+01  0.507181D+01  0.992194D+00
      2   0.221216D+01  0.386197D+00  0.507181D+01  0.552361D+01 -0.365548D+00
      3   0.386197D+00  0.108258D+01  0.992194D+00 -0.365548D+00 -0.925363D+00
                61            62            63            64            65 
      1  -0.617752D+01  0.122070D+01  0.261025D+01 -0.251784D+01  0.429281D+01
      2   0.122070D+01 -0.166273D+01 -0.424337D+00  0.429281D+01 -0.188564D+01
      3   0.261025D+01 -0.424337D+00  0.551966D+01  0.137738D+01 -0.429385D+00
                66            67            68            69            70 
      1   0.137738D+01  0.111037D+02 -0.308871D+01 -0.524774D+00  0.833845D+01
      2  -0.429385D+00 -0.308871D+01 -0.445378D+01  0.720220D+00 -0.787095D+00
      3  -0.205475D+01 -0.524774D+00  0.720220D+00  0.172694D+01 -0.302293D+01
                71            72            73            74            75 
      1  -0.787095D+00 -0.302293D+01 -0.283880D+01 -0.366538D+01 -0.221329D+01
      2   0.151299D+01  0.174529D+01 -0.366538D+01  0.186276D+01  0.586802D+00
      3   0.174529D+01 -0.699139D+01 -0.221329D+01  0.586802D+00  0.274408D+01
                76            77            78            79            80 
      1  -0.550752D+01  0.330867D+01  0.878844D+00 -0.399088D+01  0.778859D+00
      2   0.330867D+01  0.554195D+01 -0.211624D+01  0.778859D+00 -0.231537D+01
      3   0.878844D+00 -0.211624D+01 -0.156041D+01  0.414934D+01 -0.125350D+01
                81            82            83            84            85 
      1   0.414934D+01 -0.350329D+01 -0.415335D+01 -0.270699D+01 -0.522454D+01
      2  -0.125350D+01 -0.415335D+01  0.212195D+01  0.765223D+00  0.208445D+01
      3   0.471043D+01 -0.270699D+01  0.765223D+00  0.173531D+01  0.773451D+00
                86            87            88            89            90 
      1   0.208445D+01  0.773451D+00 -0.389944D+01  0.952796D+00  0.258895D+01
      2   0.248589D+01 -0.143093D+01  0.952796D+00 -0.223986D+01 -0.298238D+01
      3  -0.143093D+01 -0.225963D+01  0.258895D+01 -0.298238D+01  0.454274D+01
                91            92            93            94            95 
      1  -0.278693D+01  0.694645D+00 -0.217647D+00  0.652590D+00 -0.472737D+01
      2   0.694645D+00 -0.200228D+01 -0.630288D+00 -0.472737D+01 -0.368956D+01
      3  -0.217647D+00 -0.630288D+00 -0.156434D+01 -0.221947D+01 -0.262414D+01
                96            97            98            99           100 
      1  -0.221947D+01  0.417272D+01 -0.174090D+01 -0.293491D+01 -0.214921D+01
      2  -0.262414D+01 -0.174090D+01 -0.114371D+01  0.263894D+01 -0.171290D+01
      3   0.176409D+01 -0.293491D+01  0.263894D+01 -0.191490D+01  0.101434D+01
               101           102           103           104           105 
      1  -0.171290D+01  0.101434D+01 -0.305391D+01  0.548996D+00  0.241276D+01
      2  -0.142702D+00  0.107407D+01  0.548996D+00 -0.317609D-01  0.346922D+00
      3   0.107407D+01  0.358448D+00  0.241276D+01  0.346922D+00 -0.319943D+01
               106           107           108           109           110 
      1   0.203904D+01  0.151857D+01 -0.678712D+00  0.490117D+01  0.220946D+01
      2   0.151857D+01  0.766546D+00 -0.242810D+01  0.220946D+01  0.148037D+01
      3  -0.678712D+00 -0.242810D+01  0.169915D+01 -0.314721D+01 -0.865449D+00
               111           112           113           114           115 
      1  -0.314721D+01  0.504920D+01  0.176066D+01 -0.174880D+01 -0.721879D+01
      2  -0.865449D+00  0.176066D+01  0.429371D+01 -0.189929D+01 -0.937215D+00
      3   0.153588D+01 -0.174880D+01 -0.189929D+01  0.269023D+01  0.364294D+01
               116           117           118           119           120 
      1  -0.937215D+00  0.364294D+01 -0.788537D+00 -0.258836D-01  0.193453D+01
      2  -0.287787D+01  0.227488D+01 -0.258836D-01 -0.118162D+01 -0.136928D+01
      3   0.227488D+01 -0.671578D+01  0.193453D+01 -0.136928D+01 -0.140177D+01
               121           122           123           124           125 
      1  -0.222651D+01  0.492610D+00 -0.125818D+01  0.413817D+01 -0.265278D+01
      2   0.492610D+00 -0.423177D+01  0.120212D+01 -0.265278D+01  0.313803D+01
      3  -0.125818D+01  0.120212D+01  0.696256D+00 -0.136837D+01  0.498438D+00
               126           127           128           129           130 
      1  -0.136837D+01 -0.349181D+01 -0.191146D+01  0.186413D+01 -0.225346D+01
      2   0.498438D+00 -0.191146D+01 -0.179606D+01  0.130961D+01 -0.168181D+01
      3   0.279153D+01  0.186413D+01  0.130961D+01 -0.145627D+01  0.176761D+01
               131           132           133           134           135 
      1  -0.168181D+01  0.176761D+01  0.214516D+01  0.151514D+01 -0.197942D+01
      2  -0.244383D+01  0.193990D+01  0.151514D+01  0.250106D+01 -0.240543D+01
      3   0.193990D+01 -0.239250D+01 -0.197942D+01 -0.240543D+01  0.355137D+01
               136           137           138           139           140 
      1   0.204273D+01 -0.631793D+00  0.205192D+01 -0.701224D+00  0.402586D+00
      2  -0.631793D+00  0.454333D+00 -0.643986D+00  0.402586D+00 -0.124724D+01
      3   0.205192D+01 -0.643986D+00  0.224487D+01 -0.893766D+00  0.145820D+01
               141           142           143           144           145 
      1  -0.893766D+00  0.201294D+01 -0.117416D+01  0.254360D+01  0.401840D+01
      2   0.145820D+01 -0.117416D+01  0.196341D+01 -0.269646D+01  0.148763D+01
      3  -0.306639D+01  0.254360D+01 -0.269646D+01  0.666260D+01 -0.163115D+01
               146           147           148           149           150 
      1   0.148763D+01 -0.163115D+01  0.176827D+01  0.125333D+01 -0.143594D+01
      2   0.123885D+01 -0.797846D+00  0.125333D+01  0.156000D+01 -0.136038D+01
      3  -0.797846D+00  0.125166D+01 -0.143594D+01 -0.136038D+01  0.199019D+01
               151           152           153           154           155 
      1  -0.206796D+01 -0.130933D+01  0.178170D+01 -0.182657D+01  0.562519D+00
      2  -0.130933D+01 -0.195338D+01  0.181255D+01  0.562519D+00 -0.305290D+00
      3   0.178170D+01  0.181255D+01 -0.334087D+01 -0.186544D+01  0.457834D+00
               156           157           158           159           160 
      1  -0.186544D+01  0.340486D+00 -0.317291D+00  0.682793D+00 -0.240372D+01
      2   0.457834D+00 -0.317291D+00  0.916293D+00 -0.116406D+01  0.109424D+01
      3  -0.204486D+01  0.682793D+00 -0.116406D+01  0.276401D+01 -0.245881D+01
               161           162           163           164           165 
      1   0.109424D+01 -0.245881D+01 -0.312637D+01 -0.167500D+01  0.251670D+00
      2  -0.157096D+01  0.215288D+01 -0.167500D+01 -0.159804D+01 -0.200957D+00
      3   0.215288D+01 -0.657585D+01  0.251670D+00 -0.200957D+00 -0.246187D+00
               166           167           168           169           170 
      1  -0.396581D+01 -0.307299D+01 -0.436738D+00  0.349386D+01  0.284161D+00
      2  -0.307299D+01 -0.837447D+01 -0.406449D+00  0.284161D+00  0.933632D+00
      3  -0.436738D+00 -0.406449D+00 -0.733944D+00 -0.585509D+00 -0.924927D+00
               171           172           173           174           175 
      1  -0.585509D+00 -0.852843D+00  0.327195D+00 -0.132909D+01  0.223085D+01
      2  -0.924927D+00  0.327195D+00 -0.451358D+00 -0.162126D+00 -0.719939D+00
      3  -0.284859D+00 -0.132909D+01 -0.162126D+00 -0.115507D+01  0.251949D+00
               176           177           178           179           180 
      1  -0.719939D+00  0.251949D+00 -0.287564D+01 -0.166699D+00 -0.205893D+01
      2  -0.428677D+00 -0.824451D+00 -0.166699D+00 -0.972541D+00 -0.719729D+00
      3  -0.824451D+00  0.633250D+00 -0.205893D+01 -0.719729D+00 -0.695179D+01
               181           182           183           184           185 
      1   0.680151D+00 -0.997437D+00  0.117870D+01 -0.181721D+01  0.368326D+00
      2  -0.997437D+00  0.397703D+00  0.522084D-01  0.368326D+00  0.542824D-01
      3   0.117870D+01  0.522084D-01  0.662366D+00 -0.109573D+00  0.997049D+00
               186           187           188           189           190 
      1  -0.109573D+00  0.186557D+01  0.846766D-03  0.429381D+00 -0.100024D+01
      2   0.997049D+00  0.846766D-03  0.118687D+01 -0.824332D+00 -0.146037D+01
      3  -0.806685D+00  0.429381D+00 -0.824332D+00  0.726775D+01  0.548236D+00
               191           192           193           194           195 
      1  -0.146037D+01  0.548236D+00 -0.319670D+01 -0.332261D+01  0.328148D+00
      2  -0.138396D+01  0.188961D+00 -0.332261D+01 -0.813053D+01  0.113315D+01
      3   0.188961D+00 -0.465040D+00  0.328148D+00  0.113315D+01 -0.108232D+01
               196           197           198           199           200 
      1   0.120132D+01  0.493352D+00 -0.110686D+01 -0.184959D+01  0.394811D+00
      2   0.493352D+00  0.145318D+01 -0.108726D+01  0.394811D+00 -0.418281D+00
      3  -0.110686D+01 -0.108726D+01  0.299945D+00 -0.145627D+01 -0.134619D-01
               201           202           203           204           205 
      1  -0.145627D+01  0.115189D+01 -0.955616D+00  0.236424D+00 -0.366616D+01
      2  -0.134619D-01 -0.955616D+00 -0.253432D+00 -0.734800D+00 -0.241810D+00
      3  -0.152250D+01  0.236424D+00 -0.734800D+00  0.696915D+00 -0.329641D+01
               206           207           208           209           210 
      1  -0.241810D+00 -0.329641D+01 -0.731508D+01  0.213655D+01  0.249180D+01
      2  -0.107273D+01  0.187364D+00  0.213655D+01 -0.141508D+01 -0.703296D+00
      3   0.187364D+00 -0.664880D+01  0.249180D+01 -0.703296D+00 -0.170718D+01
               211           212           213           214           215 
      1   0.473262D+01 -0.236424D+01 -0.118325D+01  0.468913D+01 -0.957155D+00
      2  -0.236424D+01  0.150502D+01  0.120993D+01 -0.957155D+00  0.140153D+01
      3  -0.118325D+01  0.120993D+01  0.128921D+01 -0.283558D+01  0.105491D+01
               216           217           218           219           220 
      1  -0.283558D+01 -0.432174D+01  0.324186D+01  0.177432D+01  0.270772D+01
      2   0.105491D+01  0.324186D+01 -0.312529D+01 -0.105685D+01 -0.303296D+01
      3   0.189430D+01  0.177432D+01 -0.105685D+01 -0.139173D+01 -0.114822D+01
               221           222           223           224           225 
      1  -0.303296D+01 -0.114822D+01  0.275868D+01 -0.175041D+01 -0.196797D+01
      2   0.425828D+01  0.180195D+01 -0.175041D+01  0.278267D+01  0.206820D+01
      3   0.180195D+01  0.138446D+01 -0.196797D+01  0.206820D+01  0.182181D+01
               226           227           228           229           230 
      1  -0.471630D+00  0.983200D+00 -0.868687D+00  0.793812D+00 -0.647518D+00
      2   0.983200D+00 -0.797298D+00  0.276604D+00 -0.647518D+00  0.121836D+01
      3  -0.868687D+00  0.276604D+00 -0.104314D+01  0.245406D+00 -0.115977D+01
               231           232           233           234           235 
      1   0.245406D+00 -0.166025D+01  0.614689D+00 -0.144706D+01  0.825182D+01
      2  -0.115977D+01  0.614689D+00 -0.232584D+01  0.228608D+01  0.126416D+01
      3   0.122369D+01 -0.144706D+01  0.228608D+01 -0.618287D+01  0.114066D+01
               236           237           238           239           240 
      1   0.126416D+01  0.114066D+01  0.814065D+00  0.157872D+01  0.193492D+00
      2   0.226902D+01  0.264537D+00  0.157872D+01  0.138829D+01  0.508845D+00
      3   0.264537D+00  0.707253D+00  0.193492D+00  0.508845D+00  0.653382D+00
               241           242           243           244           245 
      1   0.112602D+01  0.324774D+00  0.495248D+00 -0.136338D+00 -0.119917D+01
      2   0.324774D+00  0.858595D+00  0.864318D+00 -0.119917D+01  0.552990D+00
      3   0.495248D+00  0.864318D+00  0.191299D+00  0.126577D+01 -0.240154D+00
               246           247           248           249           250 
      1   0.126577D+01 -0.195036D+01  0.976632D+00 -0.418920D+00  0.200642D+01
      2  -0.240154D+00  0.976632D+00 -0.151882D+01  0.153003D+01 -0.273840D+00
      3   0.114253D+01 -0.418920D+00  0.153003D+01 -0.186656D+01  0.200214D+01
               251           252           253           254           255 
      1  -0.273840D+00  0.200214D+01 -0.746352D+01 -0.360437D+01 -0.393208D+01
      2   0.183690D+01 -0.157808D+01 -0.360437D+01  0.916180D+00  0.359149D+00
      3  -0.157808D+01  0.517127D+01 -0.393208D+01  0.359149D+00  0.168994D+01
               256           257           258           259           260 
      1   0.120059D+01  0.343708D+01  0.112909D+01 -0.363134D+01  0.479303D+00
      2   0.343708D+01  0.386448D+01  0.226733D+01  0.479303D+00  0.131265D+01
      3   0.112909D+01  0.226733D+01 -0.198558D+01  0.187204D+01 -0.306191D+01
               261           262           263           264           265 
      1   0.187204D+01  0.361731D+01 -0.243464D+01 -0.168054D+01 -0.164290D+01
      2  -0.306191D+01 -0.243464D+01  0.219813D+01  0.113918D+01  0.171046D+01
      3  -0.880486D-02 -0.168054D+01  0.113918D+01  0.153006D+01  0.873986D+00
               266           267           268           269           270 
      1   0.171046D+01  0.873986D+00 -0.333730D+01  0.246811D+01  0.256416D+01
      2  -0.269555D+01 -0.103501D+01  0.246811D+01 -0.287340D+01 -0.216937D+01
      3  -0.103501D+01 -0.111036D+01  0.256416D+01 -0.216937D+01 -0.276466D+01
               271           272           273           274           275 
      1  -0.158062D+01  0.122128D+01  0.177676D+01  0.546604D+00 -0.935560D+00
      2   0.122128D+01 -0.202460D+01 -0.134509D+01 -0.935560D+00  0.178315D+01
      3   0.177676D+01 -0.134509D+01 -0.216511D+01 -0.534274D+00  0.133619D+01
               276           277           278           279           280 
      1  -0.534274D+00  0.196986D+01 -0.449380D+00 -0.116012D+01  0.382855D+00
      2   0.133619D+01 -0.449380D+00  0.224614D+01  0.259596D+01  0.804321D+00
      3   0.155772D+01 -0.116012D+01  0.259596D+01  0.431179D+01 -0.340307D+00
               281           282           283           284           285 
      1   0.804321D+00 -0.340307D+00  0.823951D+00 -0.372365D-01 -0.988300D-01
      2  -0.632047D+00  0.879487D-01 -0.372365D-01  0.301057D+01 -0.172146D+01
      3   0.879487D-01 -0.462385D+00 -0.988300D-01 -0.172146D+01  0.164405D+01
               286           287           288           289           290 
      1  -0.140922D+01 -0.472475D+00 -0.377522D+00  0.116934D+02  0.397303D+01
      2  -0.472475D+00 -0.324596D+01  0.162500D+01  0.397303D+01  0.275316D+01
      3  -0.377522D+00  0.162500D+01 -0.293241D+01  0.316340D+01  0.120861D+01
               291           292           293           294           295 
      1   0.316340D+01  0.196728D+01  0.184158D+01  0.583358D+00  0.281906D+01
      2   0.120861D+01  0.184158D+01  0.111352D+01  0.484104D+00  0.105456D+01
      3   0.170718D+01  0.583358D+00  0.484104D+00  0.495505D+00  0.194402D+01
               296           297 
      1   0.105456D+01  0.194402D+01
      2   0.729276D+00  0.117674D+01
      3   0.117674D+01  0.142991D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.227985D+01 -0.472777D+00 -0.178157D+01 -0.616688D+01 -0.953782D+00
      2   0.107049D+01 -0.225940D+01  0.229395D+01 -0.544075D+01  0.993599D+00
      3  -0.744235D+01 -0.355973D+01  0.228266D+00  0.101253D+02 -0.103473D+01
                 6             7             8             9            10 
      1  -0.410520D+01 -0.380587D+01  0.250786D+01 -0.734785D+00 -0.114444D+01
      2  -0.102643D+01 -0.555861D+01 -0.121592D+01 -0.498986D+00  0.346432D+01
      3   0.322232D+01 -0.380575D+01 -0.116836D+01  0.308519D+01  0.126410D+02
                11            12            13            14            15 
      1  -0.158890D+01  0.123276D+01 -0.499573D+01  0.418242D+01 -0.626235D+01
      2   0.124295D+01 -0.278273D+01  0.634148D+01  0.296179D+01 -0.293540D+01
      3   0.119821D+01  0.656658D+00  0.139614D+02  0.122805D+01  0.536465D+00
                16            17            18            19            20 
      1   0.671088D+01  0.730803D+00 -0.502699D+01 -0.208674D+01  0.121405D+01
      2  -0.199359D+02 -0.230524D+01  0.139940D+01  0.190941D+01 -0.248028D+01
      3  -0.331130D+01  0.972286D+00 -0.904460D+00  0.248507D+01 -0.957486D+00
                21            22            23            24            25 
      1  -0.134616D+01  0.381719D+01  0.124089D+01  0.119811D-01  0.302533D+01
      2   0.872866D+01  0.201426D+01 -0.268116D+01  0.343148D+01 -0.866584D+01
      3   0.322359D+01  0.132890D+02  0.336079D+01  0.418263D+00  0.199242D+01
                26            27            28            29            30 
      1   0.312805D+01  0.329223D+01  0.120603D+01 -0.178456D+01  0.430687D+01
      2  -0.180937D+00 -0.145877D+00 -0.327200D+01  0.808499D+00 -0.280196D+01
      3  -0.864116D-01 -0.203118D+01 -0.116226D+02 -0.177370D+01 -0.228923D+01
                31            32            33            34            35 
      1  -0.167930D+01  0.494028D+01 -0.539868D+01  0.816719D+01  0.239252D+01
      2   0.636064D+01  0.266309D+01 -0.412800D+01 -0.180088D+02 -0.645909D+01
      3   0.123833D+02  0.794726D+00 -0.106929D+01 -0.893398D+01 -0.866244D+00
                36            37            38            39            40 
      1  -0.393797D+01  0.945157D+00 -0.101132D+01  0.168797D+00 -0.463423D+01
      2  -0.291595D+01  0.566772D+01 -0.139876D+01  0.306281D+01 -0.641510D+01
      3  -0.105363D+01  0.158047D+01 -0.198225D+01  0.278324D+01  0.910888D+01
                41            42            43            44            45 
      1  -0.217274D+01 -0.365646D+01 -0.388312D+01  0.126308D+01 -0.237714D+01
      2   0.106554D+01 -0.197937D+01 -0.151053D+01  0.939288D-01 -0.330976D+00
      3  -0.542301D+00  0.228957D+01  0.803904D+01  0.104578D+01  0.431142D+01
                46            47            48            49            50 
      1  -0.449921D+00  0.246740D+01 -0.122829D+01  0.555587D+01  0.927745D+00
      2  -0.255916D+01 -0.359457D+01  0.869460D+01 -0.453315D+01 -0.337688D+01
      3  -0.108531D+02 -0.322120D+01  0.238871D+01  0.680087D+01  0.164593D+01
                51            52            53            54            55 
      1  -0.219289D+01  0.272813D+01  0.236418D+01  0.370653D+00 -0.164922D+01
      2   0.494913D+01 -0.501064D+01  0.260632D+00 -0.909025D+00  0.554058D+01
      3  -0.554104D+00  0.826909D+01  0.890941D+00 -0.165553D+01 -0.155448D+02
                56            57            58            59            60 
      1   0.208460D+00  0.184380D+00 -0.160033D+00 -0.632294D+01 -0.291337D+01
      2  -0.126548D+01  0.703822D+00 -0.411570D+01  0.617929D+01  0.325335D+01
      3   0.521306D+01  0.155171D+01  0.281859D+02  0.128424D+02 -0.182048D+01
                61            62            63            64            65 
      1   0.131586D+01  0.238315D+01  0.654963D+01  0.191940D+01 -0.484425D+00
      2  -0.199241D+02  0.299097D+01 -0.200135D+02 -0.107807D+02  0.192446D+01
      3   0.963475D+01 -0.608441D+01 -0.522215D+01  0.244974D+02 -0.123938D+02
                66            67            68            69            70 
      1   0.849867D+00  0.117031D+01 -0.933213D+00 -0.270095D+01 -0.132333D+01
      2   0.111486D+02  0.439059D+01 -0.501388D+01 -0.652524D+01  0.100659D+02
      3  -0.188106D+01 -0.114015D+02 -0.174456D+02  0.319491D+01 -0.877881D+01
                71            72            73            74            75 
      1   0.399452D+01  0.162440D+01 -0.107938D+01 -0.318507D+00  0.124911D+01
      2  -0.876013D+01  0.330079D+02  0.141715D+02 -0.320243D+01 -0.137200D+02
      3   0.610821D+01  0.882866D+01 -0.190991D+02  0.107159D+02  0.451580D+01
                76            77            78            79            80 
      1  -0.879817D+00 -0.169714D+01 -0.223375D+01  0.221869D+01  0.153100D+01
      2  -0.498817D+01  0.131288D+02  0.797495D+01 -0.288783D+02  0.673130D+01
      3   0.273514D+02  0.315238D+02 -0.125279D+02  0.615375D+01 -0.132986D+02
                81            82            83            84            85 
      1   0.201773D+01  0.497356D+01 -0.167145D+01 -0.384072D+01 -0.175038D+01
      2  -0.273280D+02  0.991146D+01 -0.368888D+01 -0.481830D+01 -0.415275D+01
      3  -0.976211D+01 -0.266952D+02 -0.448398D+01 -0.210012D+01  0.121397D+01
                86            87            88            89            90 
      1   0.511483D+01  0.314847D+01 -0.606006D+01  0.966030D+01 -0.913381D+01
      2   0.552399D+01  0.863991D+01 -0.126707D+02  0.114461D+02 -0.179024D+02
      3   0.129858D+02 -0.399671D+01 -0.168367D+01 -0.643789D+01 -0.815336D+01
                91            92            93            94            95 
      1  -0.137880D+01 -0.177724D+01  0.922450D+00 -0.430582D+01 -0.187770D+01
      2   0.793334D+01 -0.143205D+01  0.122097D+00 -0.842282D+01 -0.458263D+01
      3  -0.628418D+01  0.107420D+01  0.164088D+01  0.229507D+02  0.105464D+02
                96            97            98            99           100 
      1  -0.700467D+01  0.365994D+01  0.169385D+01  0.391358D+01  0.176357D+01
      2   0.861243D+01 -0.232690D+02  0.929810D+01 -0.475769D+01 -0.159918D+02
      3   0.846651D+01  0.854250D+01  0.514269D+01 -0.996010D+01  0.147809D+02
               101           102           103           104           105 
      1   0.645069D+01 -0.652624D+00  0.297653D+01  0.536909D+01  0.139760D+01
      2   0.578319D+01  0.451309D+01  0.818971D+01  0.179947D+01 -0.878688D+01
      3  -0.456710D+01 -0.428418D+01 -0.546794D+00 -0.214381D+01 -0.468823D+01
               106           107           108           109           110 
      1  -0.291667D+01  0.886663D+00 -0.255225D+01 -0.192262D+01 -0.414163D+01
      2  -0.571037D+01 -0.785133D+01  0.178762D+02 -0.577088D+01 -0.314884D+01
      3  -0.127835D+01 -0.127992D+02  0.734877D+01 -0.100629D+02 -0.850778D+01
               111           112           113           114           115 
      1  -0.919169D+00 -0.864915D+00 -0.590547D+01 -0.273822D+01 -0.216718D-02
      2   0.845454D+01 -0.627401D+01 -0.873257D+01  0.102229D+02  0.927935D+01
      3   0.361406D+01 -0.132095D+01 -0.170636D+02  0.758318D+01 -0.341258D+01
               116           117           118           119           120 
      1   0.774414D+01  0.239219D+00  0.320354D+01 -0.166471D+01 -0.811072D+00
      2   0.961927D+01 -0.303225D+02  0.938996D+01 -0.653450D+01 -0.278194D+01
      3   0.150486D+02 -0.855373D+01  0.325489D+00  0.196159D+01  0.305396D+01
               121           122           123           124           125 
      1   0.138070D+01  0.147435D+01 -0.605494D+01 -0.342779D+01  0.313134D+01
      2  -0.839209D+00  0.450867D+01  0.656034D-01 -0.680056D+01  0.154247D+01
      3   0.245243D+01  0.178547D+02 -0.414970D+01  0.605423D+01 -0.800388D+01
               126           127           128           129           130 
      1   0.565452D+01  0.285849D+00 -0.192940D+01 -0.896326D+00  0.641243D+00
      2   0.106708D+02  0.541846D+01  0.146990D+01 -0.363929D+00  0.188333D+01
      3   0.103526D+01  0.446284D+01 -0.153589D+00 -0.119059D+01  0.398258D+01
               131           132           133           134           135 
      1  -0.507543D+00 -0.297102D+01 -0.713836D+00  0.166841D+01  0.192392D+01
      2   0.526478D+00  0.405041D+00 -0.264585D+01  0.789802D-01 -0.159246D+01
      3  -0.108994D+01 -0.527871D+00 -0.165075D+01  0.159329D+01 -0.183495D-02
               136           137           138           139           140 
      1   0.136514D+01  0.106774D+01  0.212468D+01 -0.491078D+00 -0.815782D+00
      2  -0.356260D+01  0.367126D+00 -0.983243D+00  0.601414D+00  0.599418D-01
      3  -0.307282D+01 -0.248989D+00 -0.179427D+01  0.151965D+01  0.584995D+00
               141           142           143           144           145 
      1  -0.269482D+01  0.497093D+00  0.308677D+01  0.243500D+01 -0.113794D+01
      2  -0.112255D+01 -0.435515D+01  0.261074D+00  0.791516D+00  0.701314D+01
      3   0.534908D+00 -0.238130D+01 -0.676435D+00 -0.155332D+01  0.361711D+01
               146           147           148           149           150 
      1  -0.256330D+01 -0.266995D+00 -0.827008D+00 -0.140766D+01 -0.171625D+01
      2   0.162803D+01 -0.858332D+00  0.276080D+01  0.640529D+00  0.410185D+00
      3  -0.641419D+00 -0.778333D+00  0.259546D+01 -0.937546D+00  0.393840D-01
               151           152           153           154           155 
      1   0.447368D+00  0.264051D+01  0.359446D+00 -0.224191D+00  0.135370D+01
      2  -0.236739D+01 -0.440068D+00 -0.120107D+01 -0.399049D+01  0.527522D+00
      3  -0.580874D+00  0.193859D+01 -0.273032D+00 -0.126844D+01 -0.375340D+00
               156           157           158           159           160 
      1   0.564336D+00  0.191552D+00 -0.133150D+01 -0.887216D+00 -0.158250D+01
      2  -0.782492D+00  0.359649D+00  0.232732D+00 -0.138643D+01 -0.512283D+01
      3  -0.386529D+00  0.100201D+01  0.535733D+00 -0.146488D+00 -0.814749D+00
               161           162           163           164           165 
      1   0.446216D+01 -0.115569D+01  0.123936D+01  0.107550D+01 -0.933915D+00
      2   0.413900D+00  0.163009D+01 -0.360700D+01 -0.714836D+00  0.209583D+01
      3  -0.135747D+01  0.131031D+00 -0.143422D+01 -0.438818D+01 -0.686009D+00
               166           167           168           169           170 
      1   0.145683D+01  0.567499D+01 -0.291411D+01 -0.103434D+01 -0.974141D+00
      2  -0.129451D+01 -0.225112D+01  0.259085D+01  0.182231D+01  0.283184D+01
      3  -0.251618D+01 -0.229863D+02 -0.112314D+01 -0.244686D+01  0.281804D+01
               171           172           173           174           175 
      1   0.123813D+00 -0.175328D+01  0.468058D+00 -0.104282D+01 -0.114269D+00
      2   0.110053D+01  0.473328D+01  0.612827D+00  0.406136D+01  0.119931D+01
      3  -0.175227D+01  0.287809D+01 -0.257043D+01  0.884128D+00 -0.216056D+01
               176           177           178           179           180 
      1  -0.540225D+00  0.276168D+00 -0.188653D+01  0.287067D+01 -0.747920D+01
      2   0.186313D+01 -0.230920D+01  0.608277D+00  0.190996D+01  0.211521D+02
      3  -0.638681D+00 -0.250724D+01  0.198157D+01 -0.334553D+01  0.923517D+00
               181           182           183           184           185 
      1  -0.134766D+01  0.770587D+00 -0.240086D+00  0.293043D+00 -0.160881D+00
      2  -0.693709D+01  0.539988D+00 -0.337280D+01  0.193032D+01 -0.460692D+01
      3  -0.432143D+01  0.125483D+01 -0.249575D+00  0.389432D+01  0.110863D+00
               186           187           188           189           190 
      1  -0.426763D+00 -0.706833D+00  0.325601D+01 -0.120752D+01  0.165415D+00
      2   0.396972D+01 -0.735565D+01  0.400135D+01 -0.312967D+02 -0.318919D+01
      3   0.423785D+01 -0.642411D+00  0.464837D+01 -0.377339D+01 -0.770238D+01
               191           192           193           194           195 
      1   0.143700D+00 -0.624783D+00  0.230490D+00  0.262476D+00 -0.313045D+01
      2  -0.100999D+01  0.314409D+01 -0.155846D+01 -0.692807D+01  0.685047D+01
      3  -0.785763D+01  0.714964D+00 -0.129632D+02 -0.442996D+02  0.630737D+01
               196           197           198           199           200 
      1  -0.547413D+00  0.370972D+00  0.416039D+00 -0.725736D+00  0.491907D+00
      2   0.471166D+01  0.589425D+01 -0.154126D+01  0.784967D+01  0.133175D+00
      3   0.165076D+01  0.804046D+01 -0.503456D+01  0.302769D+01 -0.339512D+01
               201           202           203           204           205 
      1  -0.870045D+00  0.232649D+00 -0.425000D+00 -0.379606D+00 -0.115761D+01
      2   0.952227D+01 -0.852503D+00  0.379301D+01 -0.400537D+01  0.147084D+02
      3   0.638834D+00 -0.441666D+01 -0.869122D+00 -0.390982D+01  0.341746D+00
               206           207           208           209           210 
      1   0.290966D+01 -0.278481D+01  0.906384D+00 -0.926142D+00 -0.270906D-01
      2  -0.140177D+01  0.381504D+02 -0.133583D+02  0.392986D+01  0.117867D+02
      3  -0.664441D+01  0.326343D+01  0.143755D+02 -0.112333D+02 -0.513157D+01
               211           212           213           214           215 
      1  -0.454112D+00  0.104590D+01 -0.546044D+00 -0.633063D+00  0.182475D+01
      2   0.607211D+01 -0.685919D+01 -0.832417D+01  0.141778D+02 -0.611809D+01
      3  -0.134635D+02  0.103388D+02  0.744765D+01 -0.673022D+01  0.944855D+01
               216           217           218           219           220 
      1   0.202089D+00 -0.370123D+01  0.163028D+01  0.419230D+01  0.269043D+01
      2  -0.110992D+02 -0.648854D+01  0.412784D+01  0.684120D+01  0.393535D+01
      3   0.720947D+01  0.466992D+01 -0.854496D+01 -0.898201D+00 -0.413582D+01
               221           222           223           224           225 
      1  -0.309410D+01 -0.432982D+01  0.418368D+01 -0.249115D+01 -0.404467D+01
      2  -0.697504D+01 -0.632523D+01  0.621029D+01 -0.803787D+01 -0.741670D+01
      3   0.124016D+02  0.482961D+01 -0.999872D+00  0.879184D+01  0.495858D+01
               226           227           228           229           230 
      1   0.171650D+01 -0.104257D+00  0.206590D+01 -0.538530D+00  0.163854D+01
      2   0.354116D+01 -0.101485D+01  0.430400D+01 -0.537195D+00  0.405257D+01
      3   0.395567D+01 -0.241729D+01 -0.137023D+00  0.122937D+00  0.357512D+01
               231           232           233           234           235 
      1  -0.371267D+01  0.259629D+01 -0.130624D+01  0.133324D+02 -0.137739D+01
      2  -0.426949D+01  0.176768D+01 -0.838918D+01  0.235294D+02 -0.430728D+01
      3  -0.386511D+01 -0.125465D+01 -0.901178D+01  0.735388D+01  0.263408D+02
               236           237           238           239           240 
      1  -0.147662D+00 -0.237482D+01 -0.154249D+00 -0.974264D+00 -0.181998D+01
      2  -0.754541D+00 -0.131899D+01 -0.535764D+00 -0.189408D+01 -0.118322D+01
      3   0.952742D+01  0.346414D+01  0.105274D+02  0.702715D+01  0.259051D+01
               241           242           243           244           245 
      1  -0.214401D+01 -0.220343D+00 -0.109084D+00 -0.198853D+01  0.842329D+00
      2  -0.455091D+01 -0.267280D+01 -0.481270D+00  0.446644D+01  0.517531D+00
      3   0.328353D+01  0.365038D+01  0.435713D+01  0.412351D+01 -0.227346D+01
               246           247           248           249           250 
      1  -0.690893D+00  0.752420D+00 -0.293941D+01  0.755399D+00 -0.109636D+01
      2   0.325504D+01  0.143991D+01  0.425775D+01 -0.561959D+01  0.198486D+01
      3   0.117822D+01 -0.642367D+00  0.484011D+01 -0.497092D+01  0.291679D+00
               251           252           253           254           255 
      1   0.433051D+01 -0.266192D+01  0.365225D+01  0.121442D+01 -0.482400D+01
      2  -0.520412D+01  0.141407D+02 -0.560372D+01  0.436257D+01  0.123128D+02
      3  -0.618612D+01  0.584708D+01 -0.343814D+01 -0.137434D+02 -0.932832D+01
               256           257           258           259           260 
      1   0.282408D+01 -0.182757D+00  0.728298D+01 -0.250315D+01  0.129265D+02
      2   0.272783D+01  0.442753D+01 -0.927673D+01  0.816625D+01 -0.113417D+02
      3  -0.134310D+02 -0.897958D+01 -0.703233D+01 -0.785143D+01 -0.428161D+01
               261           262           263           264           265 
      1  -0.366881D+01 -0.233472D+01  0.115209D+01  0.270353D+01  0.181921D+01
      2  -0.128809D+01 -0.556042D+01  0.484884D+01  0.602093D+01  0.302447D+01
      3   0.140926D+02  0.460936D+01 -0.653741D+01 -0.208488D+01 -0.336621D+01
               266           267           268           269           270 
      1  -0.170921D+01 -0.222237D+01  0.342502D+01 -0.186137D+01 -0.443112D+01
      2  -0.424254D+01 -0.467606D+01  0.838264D+01 -0.840034D+01 -0.116684D+02
      3   0.821516D+01  0.282168D+01 -0.494155D+01  0.910734D+01  0.572870D+01
               271           272           273           274           275 
      1  -0.257180D+01 -0.963321D+00  0.384875D+01 -0.552561D+00 -0.632892D+00
      2   0.900175D+01 -0.504182D+01 -0.793822D+01 -0.234863D+01  0.538753D+01
      3  -0.897535D+01  0.731912D+01  0.763331D+01  0.566155D+01 -0.695659D+01
               276           277           278           279           280 
      1  -0.295456D+01  0.271474D+01 -0.861964D+00 -0.596920D+01  0.259645D+01
      2   0.520738D+01 -0.793990D+01  0.825793D+01  0.138708D+02 -0.210257D+01
      3  -0.548636D+01  0.615061D+01 -0.752812D+01 -0.112358D+02 -0.335769D+01
               281           282           283           284           285 
      1  -0.801715D+00  0.187465D+01 -0.112900D+00  0.706271D+01 -0.702505D+01
      2  -0.286195D+00 -0.127453D+01 -0.870783D+00 -0.539225D+01  0.523238D+01
      3   0.272140D+01 -0.149992D+01  0.285914D+01 -0.948622D+01  0.572450D+01
               286           287           288           289           290 
      1   0.131085D+01 -0.523020D+01  0.111242D+02 -0.134488D+01  0.180039D+01
      2  -0.264718D+01  0.560970D+01 -0.941178D+01 -0.220276D+01  0.116726D+00
      3  -0.283557D+01  0.972844D+01 -0.680782D+01  0.788051D+01 -0.531937D+01
               291           292           293           294           295 
      1  -0.291701D+01  0.850997D+00  0.536401D+00 -0.190098D+01 -0.265297D+01
      2   0.475163D+01 -0.516732D-01 -0.529070D+00  0.206358D+01  0.241256D+01
      3   0.143463D+01 -0.992876D+00 -0.100916D+01 -0.781483D-01  0.194900D+01
               296           297 
      1  -0.651862D+00 -0.118914D+01
      2   0.260759D+01  0.301114D+01
      3  -0.119736D+01 -0.746476D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.974400D+01 -0.112765D+02  0.202064D+02  0.128288D+02 -0.126323D+02
      2  -0.302745D+01  0.246630D+01 -0.318040D+01 -0.166082D+00  0.202674D+02
      3   0.127715D+02  0.881016D+01 -0.170260D+02 -0.126627D+02 -0.763504D+01
      4  -0.102017D+02 -0.619385D+01  0.809556D+01  0.147667D+01  0.525823D+00
      5   0.107334D+02  0.585101D+01  0.357198D+01  0.791875D+01  0.298724D+01
      6   0.518254D+01 -0.259572D+01  0.374463D+01  0.623078D+01  0.101763D+01
                 6             7             8             9            10 
      1   0.190876D+01 -0.344071D+02 -0.146416D+02  0.891850D+01  0.515867D+02
      2  -0.418156D+01  0.108836D+02  0.768378D+01 -0.938274D+01 -0.199174D+02
      3   0.227280D+01  0.235235D+02  0.695782D+01  0.464239D+00 -0.316693D+02
      4   0.317006D+01 -0.419158D+01  0.289181D+00 -0.502403D+01 -0.911259D+00
      5  -0.731636D+01  0.784023D+01 -0.642128D+01  0.362623D+01  0.232617D+01
      6   0.306662D+00 -0.106941D+02 -0.723675D+01  0.793600D+01  0.223470D+01
                11            12            13            14            15 
      1  -0.373608D+00  0.440054D+01 -0.728334D+01 -0.636387D+01  0.973774D+01
      2   0.194487D+01 -0.454129D+01  0.370359D+01  0.648994D+01 -0.366873D+01
      3  -0.157126D+01  0.140743D+00  0.357975D+01 -0.126072D+00 -0.606900D+01
      4   0.327320D+01 -0.369268D+01  0.780916D+01  0.196448D+01  0.123780D+01
      5  -0.366529D+01  0.429077D+01  0.135193D+02 -0.227281D-01  0.201291D+01
      6  -0.134930D+01  0.286045D+01  0.413187D+01  0.336097D+01  0.108242D+02
                16            17            18            19            20 
      1   0.966648D+01  0.122647D+02 -0.167927D+02  0.135199D+02  0.183892D+02
      2   0.299763D+01  0.344465D+01  0.452061D+01  0.284459D+01 -0.121110D+02
      3  -0.126641D+02 -0.157094D+02  0.122721D+02 -0.163645D+02 -0.627819D+01
      4   0.194797D+02  0.191666D+01 -0.131935D+01  0.469187D+01  0.354267D+01
      5  -0.100151D+02 -0.151745D+00  0.167952D+01 -0.152800D+02  0.193816D+01
      6   0.429589D+01  0.668870D+01 -0.491393D+01 -0.205439D+01  0.449760D+01
                21            22            23            24            25 
      1  -0.181164D+02 -0.783926D+01 -0.183918D+01 -0.168083D+02  0.141983D+02
      2   0.119867D+02  0.110213D+01  0.988731D+01 -0.498118D+01 -0.453793D+01
      3   0.612968D+01  0.673713D+01 -0.804813D+01  0.217895D+02 -0.966032D+01
      4   0.955788D-01  0.116324D+02 -0.605816D+01 -0.866788D+00  0.189054D+01
      5  -0.104533D+02 -0.362785D+01 -0.102486D+01 -0.336237D+00  0.766717D+01
      6  -0.677246D+01 -0.341342D+01 -0.166975D+01  0.218424D+00  0.119402D+02
                26            27            28            29            30 
      1  -0.757235D+01  0.326246D+01  0.579146D+01  0.206554D+01  0.619359D+00
      2  -0.784248D+00 -0.280872D+01  0.283642D-01 -0.184304D+01 -0.274078D+01
      3   0.835660D+01 -0.453732D+00 -0.581982D+01 -0.222499D+00  0.212142D+01
      4  -0.283998D+01  0.814999D+01  0.183492D+01  0.521414D+01 -0.155572D+01
      5   0.752073D+01 -0.575154D+01  0.659766D+01 -0.111908D+01  0.593925D+01
      6   0.999320D+00  0.124259D+02  0.629969D+01  0.250533D+01 -0.867710D+00
                31            32            33            34            35 
      1  -0.125117D+02 -0.896790D+01  0.107177D+02 -0.221722D+00  0.136475D+02
      2  -0.388307D+00  0.360021D+01 -0.434956D+01  0.612250D+01  0.221550D+01
      3   0.129000D+02  0.536769D+01 -0.636812D+01 -0.590078D+01 -0.158630D+02
      4   0.760300D+01  0.245926D+01  0.272893D+01  0.212783D+02  0.399707D+01
      5   0.178083D+02  0.360101D+01  0.158277D+01 -0.676587D+01 -0.321242D+01
      6   0.298807D+01  0.415184D+01  0.100019D+02  0.236090D+01  0.650698D+01
                36            37            38            39            40 
      1  -0.180984D+02  0.154498D+01 -0.910988D+01  0.224932D+02  0.108579D+02
      2   0.489745D+01 -0.809763D+01  0.184586D+01 -0.539561D+01  0.997355D+00
      3   0.132009D+02  0.655265D+01  0.726402D+01 -0.170976D+02 -0.118552D+02
      4  -0.345567D+01 -0.133046D+02 -0.561979D+01  0.544059D+01  0.500276D+01
      5  -0.214401D+01  0.111978D+02  0.343250D+01  0.424823D+01  0.446163D+01
      6  -0.656452D+01  0.398344D+01 -0.346888D+01 -0.461922D+00  0.322298D+01
                41            42            43            44            45 
      1  -0.528120D+01 -0.901858D+00 -0.190008D+02 -0.122442D+02  0.111331D+02
      2   0.115120D+02 -0.138104D+01  0.258681D+01  0.376309D+01 -0.816784D+01
      3  -0.623080D+01  0.228290D+01  0.164140D+02  0.848109D+01 -0.296524D+01
      4   0.432368D+00  0.844138D+00 -0.739607D+01 -0.405643D+01 -0.562451D+01
      5   0.224554D+01 -0.801753D+01  0.927910D+01 -0.525526D+01  0.206808D+01
      6   0.299626D+01  0.175850D+01 -0.123879D+02 -0.471975D+01  0.804275D+01
                46            47            48            49            50 
      1  -0.276798D+01  0.117750D+02 -0.161907D+02 -0.199301D+02  0.290465D+01
      2   0.990659D+01 -0.599462D+01  0.958227D+01  0.716609D+01  0.391392D+01
      3  -0.713862D+01 -0.578039D+01  0.660839D+01  0.127640D+02 -0.681857D+01
      4   0.890779D+01  0.734675D+01 -0.119987D+01  0.130935D+02 -0.423879D+01
      5  -0.145872D+02  0.110034D+01 -0.896147D+01 -0.768742D+01 -0.590776D+00
      6   0.499404D+00  0.303298D+01 -0.598702D+01 -0.269690D+01  0.263904D+01
                51            52            53            54            55 
      1  -0.219420D+02  0.205940D+02 -0.667742D+01  0.188864D+01 -0.523038D+02
      2   0.367299D+00 -0.581075D+01 -0.277045D+00  0.366457D+00  0.197209D+02
      3   0.215747D+02 -0.147833D+02  0.695446D+01 -0.225510D+01  0.325829D+02
      4  -0.324858D+00  0.198712D+01 -0.187547D+01  0.542553D+01  0.103921D+02
      5   0.357038D+00  0.545926D+01  0.498964D+01 -0.541275D+01  0.787932D+01
      6   0.343621D+01  0.859631D+01  0.236846D+01  0.150350D+02  0.145971D+01
                56            57            58            59            60 
      1   0.131212D+02  0.655720D+01  0.418716D+02 -0.108798D+02 -0.593571D+01
      2  -0.914024D+01 -0.112232D+01 -0.300383D+02 -0.117473D+02  0.128388D+01
      3  -0.398098D+01 -0.543488D+01 -0.118333D+02  0.226271D+02  0.465183D+01
      4  -0.152363D+02 -0.209550D+01 -0.335374D+02 -0.395109D+02  0.250732D+01
      5  -0.223836D+01 -0.676661D+01 -0.615591D+01  0.385730D+01  0.566372D+01
      6  -0.163784D+01 -0.979649D+00 -0.378056D+01 -0.201006D+01  0.146285D+01
                61            62            63            64            65 
      1   0.394495D+02 -0.841987D+01 -0.241333D+01 -0.226108D+02 -0.350477D+02
      2  -0.119851D+02  0.598417D+01  0.136024D+02  0.168607D+02  0.149550D+02
      3  -0.274644D+02  0.243570D+01 -0.111891D+02  0.575010D+01  0.200928D+02
      4  -0.720325D+01  0.113244D+02  0.281768D+01 -0.374799D+02  0.146262D+02
      5  -0.198835D+02  0.317051D+01 -0.377814D+02 -0.143888D+02  0.336662D+01
      6  -0.210796D+01  0.555057D+00 -0.619752D+01  0.163560D+01  0.125058D+01
                66            67            68            69            70 
      1  -0.112460D+02 -0.719348D+02  0.270386D+02  0.614089D+00 -0.437693D+02
      2   0.772683D+01  0.364458D+02 -0.157292D+02 -0.554026D+00  0.191256D+02
      3   0.351912D+01  0.354891D+02 -0.113094D+02 -0.600622D-01  0.246437D+02
      4   0.308903D+01  0.246996D+02  0.362583D+02 -0.627334D+01  0.613911D+01
      5   0.156764D+02  0.643684D+01 -0.754745D+01 -0.127079D+02  0.297795D+02
      6  -0.132221D+00 -0.976133D+00  0.232665D+01 -0.196912D+00 -0.974795D+00
                71            72            73            74            75 
      1   0.248056D+01  0.279463D+02  0.279401D+02  0.418522D+02  0.255956D+02
      2  -0.165113D+01 -0.604835D+01 -0.127068D+02 -0.238242D+02 -0.118113D+02
      3  -0.829430D+00 -0.218979D+02 -0.152334D+02 -0.180280D+02 -0.137843D+02
      4  -0.112411D+02 -0.139700D+02  0.423876D+02 -0.198446D+02 -0.654238D+01
      5  -0.136051D+02  0.568437D+02  0.281969D+02 -0.743922D+01 -0.309571D+02
      6   0.351159D+01  0.719047D+00 -0.157126D+00  0.136485D+01 -0.218021D+00
                76            77            78            79            80 
      1   0.577661D+02 -0.277384D+02 -0.117527D+02  0.410349D+02 -0.980697D+01
      2  -0.345821D+02  0.525479D+01  0.759891D+01 -0.172353D+02  0.687312D+01
      3  -0.231840D+02  0.224836D+02  0.415382D+01 -0.237996D+02  0.293385D+01
      4  -0.358866D+02 -0.592278D+02  0.235560D+02 -0.861739D+01  0.241840D+02
      5  -0.112762D+02  0.259679D+02  0.171031D+02 -0.493452D+02  0.145020D+02
      6   0.342908D+01  0.373635D+01 -0.752354D+00  0.388273D-01 -0.111966D+01
                81            82            83            84            85 
      1  -0.399510D+02  0.376731D+02  0.274806D+02  0.200440D+02  0.335454D+02
      2   0.266626D+02 -0.296331D+02 -0.841438D+01 -0.796798D+01 -0.124848D+02
      3   0.132884D+02 -0.803999D+01 -0.190662D+02 -0.120760D+02 -0.210605D+02
      4   0.146685D+02  0.248887D+02 -0.265017D+02 -0.129483D+02 -0.293743D+02
      5  -0.520487D+02  0.197057D+02 -0.894085D+01 -0.146223D+02 -0.888768D+01
      6  -0.278690D+01 -0.125785D+02  0.310138D+01  0.792009D+01  0.472395D+01
                86            87            88            89            90 
      1  -0.262755D+02 -0.274398D+01  0.267079D+02 -0.617553D+01 -0.931371D+01
      2   0.199223D+02 -0.413175D+01 -0.829558D+01 -0.357252D+01  0.344988D+01
      3   0.635324D+01  0.687573D+01 -0.184123D+02  0.974805D+01  0.586383D+01
      4  -0.124403D+02  0.127486D+02 -0.151512D+02  0.203254D+02  0.288073D+02
      5   0.126460D+02  0.184979D+02 -0.233092D+02  0.246067D+02 -0.355600D+02
      6  -0.923873D+01 -0.885350D+01  0.111353D+02 -0.128799D+02  0.164230D+02
                91            92            93            94            95 
      1   0.116544D+02  0.142647D+02  0.815015D+01  0.176036D+02 -0.134618D+01
      2  -0.621393D+01 -0.104047D+02 -0.129015D+01 -0.176790D+02 -0.377095D+01
      3  -0.544043D+01 -0.386001D+01 -0.686000D+01  0.754001D-01  0.511713D+01
      4   0.104858D+02 -0.818053D+01 -0.212093D+01 -0.294706D+02 -0.213826D+02
      5   0.480736D+01 -0.231303D+01 -0.732812D+01 -0.137271D+02 -0.163433D+02
      6   0.186971D+01 -0.400090D+01 -0.156745D+01 -0.104542D+02 -0.882129D+01
                96            97            98            99           100 
      1  -0.592507D+01  0.226406D+02 -0.780648D+01 -0.932534D+01 -0.829596D+01
      2  -0.691299D+01 -0.805736D+01 -0.457951D+01  0.126559D+02  0.494468D+01
      3   0.128381D+02 -0.145833D+02  0.123860D+02 -0.333055D+01  0.335128D+01
      4  -0.156894D+02 -0.127889D+02 -0.754474D+01  0.181882D+02 -0.100821D+02
      5   0.138793D+02 -0.196061D+02  0.187637D+02 -0.156855D+02  0.132107D+02
      6  -0.718306D+01  0.115273D+01 -0.169458D+01  0.566881D+01  0.221710D+01
               101           102           103           104           105 
      1  -0.108556D+02  0.289833D+01 -0.163390D+02  0.153407D+01  0.164775D+02
      2   0.103810D+02 -0.708286D+01  0.171423D+02 -0.859970D+01 -0.164033D+02
      3   0.474585D+00  0.418453D+01 -0.803326D+00  0.706563D+01 -0.742581D-01
      4  -0.628500D+01  0.992681D+01 -0.712832D+01  0.441663D+01  0.851193D+00
      5   0.103267D+02 -0.239021D+01  0.267960D+02  0.132500D+01 -0.226088D+02
      6   0.388499D+01 -0.795920D+00 -0.542532D+00  0.347349D+01 -0.234757D+01
               106           107           108           109           110 
      1   0.231485D+02  0.133448D+02 -0.883627D+00  0.470740D+02  0.161248D+02
      2  -0.154446D+02 -0.839200D+01  0.937718D+01 -0.292984D+02 -0.988141D+01
      3  -0.770398D+01 -0.495277D+01 -0.849355D+01 -0.177756D+02 -0.624339D+01
      4   0.173231D+02  0.157356D+02 -0.205509D+02  0.198149D+02  0.201766D+02
      5  -0.106821D+02 -0.203506D+02  0.262872D+02 -0.341097D+02 -0.107541D+02
      6  -0.353427D+01 -0.420903D+01  0.355387D+01 -0.466516D+01 -0.424847D+01
               111           112           113           114           115 
      1  -0.233506D+02  0.292631D+02  0.649112D+01 -0.830113D+01 -0.401913D+02
      2   0.172672D+02 -0.162692D+02 -0.266619D+01  0.991311D+01  0.270311D+02
      3   0.608343D+01 -0.129939D+02 -0.382493D+01 -0.161198D+01  0.131602D+02
      4  -0.831905D+01  0.215420D+02  0.354367D+02 -0.167073D+02 -0.983580D+01
      5   0.234145D+02 -0.191144D+02 -0.171699D+02  0.227154D+02  0.418759D+02
      6   0.334275D+01 -0.547639D+01 -0.818089D+01  0.112719D+02  0.192361D+01
               116           117           118           119           120 
      1  -0.401609D+01  0.908787D+01  0.257467D+01 -0.669857D+01  0.138814D+02
      2   0.801166D+01 -0.287858D+02  0.790182D+00  0.250489D+01 -0.573601D+01
      3  -0.399557D+01  0.196979D+02 -0.336485D+01  0.419368D+01 -0.814537D+01
      4  -0.283647D+02  0.205933D+02 -0.659602D+00 -0.184361D+01 -0.155641D+02
      5   0.203936D+02 -0.615321D+02  0.185983D+02 -0.121132D+02 -0.689865D+01
      6   0.123430D+02 -0.843794D+01 -0.771317D+01  0.620100D+01  0.383766D+01
               121           122           123           124           125 
      1  -0.983939D+01 -0.113664D+02 -0.107108D+02  0.264057D+02 -0.169788D+02
      2  -0.937962D+00  0.282964D+02  0.523010D+01 -0.926137D+01  0.336598D+01
      3   0.107774D+02 -0.169300D+02  0.548068D+01 -0.171443D+02  0.136129D+02
      4   0.157880D+02 -0.368504D+02  0.124115D+02 -0.289541D+02  0.278917D+02
      5  -0.134770D+02  0.138881D+02  0.236364D+01 -0.926678D+01  0.461339D+01
      6   0.553133D+01 -0.183178D+01  0.473504D+01  0.644114D+01  0.228801D+01
               126           127           128           129           130 
      1  -0.108422D+02  0.208652D+01 -0.326230D+01  0.157414D+01 -0.914036D+00
      2   0.472798D+01  0.303956D+00  0.501941D+01 -0.298017D+00  0.158375D+01
      3   0.611418D+01 -0.239048D+01 -0.175711D+01 -0.127612D+01 -0.669714D+00
      4   0.675998D+01  0.108198D+02  0.911285D+01 -0.682438D+01  0.864614D+01
      5   0.234402D+02 -0.127495D+02 -0.771622D+01  0.100129D+02 -0.976818D+01
      6  -0.905340D+01 -0.861527D+01 -0.728411D+01  0.734823D+01 -0.800008D+01
               131           132           133           134           135 
      1  -0.884034D+01  0.798443D+01  0.411706D+01  0.105563D+02 -0.128040D+02
      2   0.853596D+01 -0.345199D+01 -0.493077D+00 -0.661094D+01  0.166503D+01
      3   0.304379D+00 -0.453245D+01 -0.362398D+01 -0.394534D+01  0.111390D+02
      4   0.104605D+02 -0.713588D+01 -0.734116D+01 -0.739840D+01  0.800737D+01
      5  -0.887979D+01  0.983814D+01  0.109502D+02  0.906453D+01 -0.145613D+02
      6  -0.123843D+02  0.115613D+02  0.882631D+01  0.134464D+02 -0.156442D+02
               136           137           138           139           140 
      1  -0.287565D+01  0.198285D+01 -0.558458D+01  0.337137D+01 -0.788490D+01
      2  -0.310764D+01  0.447059D-01 -0.370454D+01  0.185669D+00  0.225566D+01
      3   0.598329D+01 -0.202756D+01  0.928912D+01 -0.355704D+01  0.562924D+01
      4  -0.488368D+01  0.397680D+01 -0.532505D+01  0.323423D+01 -0.369970D+01
      5   0.877885D+01 -0.383852D+01  0.108423D+02 -0.384885D+01  0.338551D+01
      6  -0.496189D+01  0.349308D+01 -0.505789D+01  0.381286D+01 -0.860068D+01
               141           142           143           144           145 
      1   0.125218D+02 -0.741791D+01  0.120907D+02 -0.274857D+02  0.541749D+01
      2   0.291607D+00 -0.211047D+01 -0.238350D+01 -0.631506D+01 -0.310891D+01
      3  -0.128134D+02  0.952838D+01 -0.970717D+01  0.338008D+02 -0.230858D+01
      4   0.432967D+01 -0.602578D+01  0.638930D+01 -0.933956D+01  0.492299D+01
      5  -0.460280D+01  0.102270D+02 -0.559534D+01  0.154353D+02 -0.105006D+02
      6   0.112740D+02 -0.760676D+01  0.128947D+02 -0.205605D+02 -0.362350D+01
               146           147           148           149           150 
      1  -0.136205D+01  0.644154D+00 -0.249411D+01 -0.547933D+01  0.603146D+01
      2   0.179137D+01  0.128144D+01  0.737104D+00  0.386547D+01 -0.795665D+00
      3  -0.429318D+00 -0.192560D+01  0.175701D+01  0.161386D+01 -0.523579D+01
      4   0.484793D+01 -0.289480D+01  0.501719D+01  0.566846D+01 -0.331758D+01
      5  -0.402472D+01  0.740731D+01 -0.640057D+01 -0.572194D+01  0.726765D+01
      6  -0.321513D+01  0.348474D+01 -0.423158D+01 -0.699853D+01  0.662232D+01
               151           152           153           154           155 
      1   0.304228D+01  0.642795D+01 -0.101929D+02 -0.890531D+00  0.476504D+00
      2   0.995970D+00 -0.281923D+01 -0.143808D+01 -0.417285D+01  0.959369D+00
      3  -0.403825D+01 -0.360872D+01  0.116310D+02  0.506338D+01 -0.143587D+01
      4  -0.447941D+01 -0.406487D+01  0.373066D+01 -0.308536D+01  0.267401D+01
      5   0.883067D+01  0.550323D+01 -0.115793D+02  0.753830D+01 -0.296838D+01
      6   0.512844D+01  0.757301D+01 -0.941632D+01 -0.209207D+01  0.223552D+01
               156           157           158           159           160 
      1  -0.343092D+01  0.295969D+01 -0.573929D+01  0.100281D+02 -0.236662D+01
      2  -0.464295D+01  0.213949D+00  0.678703D+00  0.182576D+01 -0.503573D+01
      3   0.807387D+01 -0.317364D+01  0.506059D+01 -0.118539D+02  0.740235D+01
      4  -0.333702D+01  0.250107D+01 -0.252652D+01  0.352009D+01 -0.512706D+01
      5   0.976547D+01 -0.296410D+01  0.317185D+01 -0.387343D+01  0.998083D+01
      6  -0.142943D+01  0.266699D+01 -0.542417D+01  0.656706D+01 -0.370552D+01
               161           162           163           164           165 
      1   0.686589D+01 -0.226080D+02  0.145659D+02  0.717503D+01 -0.224474D+01
      2   0.470009D+00 -0.101305D+02 -0.107194D+01  0.201056D+00  0.737444D+00
      3  -0.733590D+01  0.327385D+02 -0.134940D+02 -0.737609D+01  0.150730D+01
      4   0.519922D+01 -0.685558D+01  0.144991D+02  0.172153D+02  0.143881D+01
      5  -0.444413D+01  0.155313D+02 -0.191800D+01  0.194145D+01  0.351565D+01
      6   0.790985D+01 -0.109880D+02  0.742623D+00  0.146955D+01  0.856792D+00
               166           167           168           169           170 
      1   0.113194D+02 -0.112354D+02 -0.158595D+00 -0.149753D+02  0.529645D+00
      2   0.404921D+01  0.329082D+02  0.427538D+00  0.467032D+01 -0.324147D+01
      3  -0.153686D+02 -0.216729D+02 -0.268944D+00  0.103050D+02  0.271183D+01
      4   0.276414D+02  0.559488D+02  0.279056D+01 -0.303399D+01 -0.666180D+01
      5   0.324348D+01  0.165101D+01  0.510456D+01  0.555340D+01  0.613546D+01
      6   0.304107D+01  0.700042D+01  0.527028D+01  0.203246D+01  0.555776D+01
               171           172           173           174           175 
      1  -0.124767D+01  0.525225D+01 -0.232028D+01  0.638357D+01 -0.108103D+02
      2   0.125506D+01 -0.727717D+01  0.150562D+01 -0.570191D+01  0.657637D+01
      3  -0.738706D-02  0.202492D+01  0.814665D+00 -0.681662D+00  0.423394D+01
      4   0.630452D+01 -0.136595D+01  0.432531D+01  0.220991D+01  0.484936D+01
      5   0.177139D+01  0.111284D+02  0.137578D+01  0.131481D+02 -0.196893D+01
      6   0.273191D+00  0.100209D+01  0.108458D+01  0.152978D+01  0.106419D+01
               176           177           178           179           180 
      1  -0.607080D+00 -0.626803D+00  0.108877D+02 -0.221409D+01 -0.121068D+02
      2   0.353937D+00  0.227367D+01 -0.115647D+02  0.543119D+00 -0.154058D+02
      3   0.253143D+00 -0.164687D+01  0.676957D+00  0.167097D+01  0.275126D+02
      4   0.294880D+01  0.511665D+01  0.304284D+01  0.658039D+01  0.467803D+01
      5   0.521264D+01 -0.469419D+01  0.184368D+02  0.450871D+01  0.451242D+02
      6   0.653669D+00  0.414595D+01  0.345018D+01  0.555837D+01  0.110231D+02
               181           182           183           184           185 
      1  -0.248139D+01  0.689153D+01 -0.101336D+02  0.130669D+02 -0.797780D+01
      2  -0.246237D+01 -0.281772D+01  0.347113D+01 -0.626333D+01  0.332409D+01
      3   0.494376D+01 -0.407381D+01  0.666247D+01 -0.680359D+01  0.465371D+01
      4   0.721721D+01 -0.177875D+01 -0.640352D+00 -0.781356D+00 -0.774157D+00
      5  -0.783624D+01 -0.659401D+00 -0.457996D+00  0.619184D+00 -0.742800D+01
      6  -0.154246D+00  0.154911D+00 -0.118693D+00  0.409141D+00 -0.190724D+01
               186           187           188           189           190 
      1   0.176109D+01 -0.171242D+02  0.235931D+00 -0.212154D+02  0.129783D+02
      2   0.351833D+00  0.792575D+01  0.223782D+01 -0.901403D+01 -0.342259D+01
      3  -0.211292D+01  0.919846D+01 -0.247376D+01  0.302294D+02 -0.955573D+01
      4  -0.714791D+01 -0.971498D+00 -0.846360D+01  0.678445D+01  0.179289D+02
      5   0.641787D+01  0.991079D+00  0.668611D+01 -0.552224D+02 -0.677326D+01
      6   0.644555D+01 -0.293383D+00  0.371672D+01 -0.190144D+01 -0.134526D+01
               191           192           193           194           195 
      1   0.162072D+02 -0.637107D+01  0.324275D+02  0.200833D+02 -0.787198D+00
      2  -0.568128D+01  0.282275D+01 -0.107361D+02  0.752895D+01 -0.107761D+01
      3  -0.105259D+02  0.354832D+01 -0.216914D+02 -0.276122D+02  0.186480D+01
      4   0.204997D+02 -0.270433D+01  0.420840D+02  0.892271D+02 -0.127208D+02
      5  -0.275468D+01  0.644608D+01 -0.470879D+01 -0.142431D+02  0.129685D+02
      6  -0.645208D+00  0.620593D+00 -0.216750D+01 -0.476197D+01  0.575506D+01
               196           197           198           199           200 
      1  -0.126172D+02 -0.202651D+01  0.791463D+01  0.229996D+02 -0.473603D+01
      2   0.572224D+01 -0.531886D+00 -0.400284D+01 -0.148899D+02  0.287072D+01
      3   0.689493D+01  0.255840D+01 -0.391179D+01 -0.810961D+01  0.186531D+01
      4  -0.635439D+01 -0.158253D+02  0.114369D+02 -0.439691D+01  0.584177D+01
      5   0.140064D+02  0.122849D+02 -0.344887D+01  0.190256D+02  0.122464D+00
      6   0.238124D+01  0.618818D+01 -0.262143D+01  0.554202D+00  0.161665D+00
               201           202           203           204           205 
      1   0.171968D+02 -0.128224D+02  0.713075D+01 -0.131182D+01  0.389475D+02
      2  -0.107829D+02  0.756600D+01 -0.330909D+01  0.145491D+01 -0.249010D+02
      3  -0.641390D+01  0.525638D+01 -0.382166D+01 -0.143091D+00 -0.140465D+02
      4   0.296215D+00  0.119487D+02  0.267074D+01  0.835397D+01  0.259132D+01
      5   0.221179D+02 -0.297583D+01  0.799826D+01 -0.791777D+01  0.425224D+02
      6   0.907521D+00  0.155558D+01 -0.913002D+00  0.395017D+01  0.113268D+01
               206           207           208           209           210 
      1   0.276635D+01  0.250895D+02  0.940213D+02 -0.260653D+02 -0.301505D+02
      2  -0.102189D+01 -0.261631D+02 -0.492853D+02  0.134563D+02  0.166132D+02
      3  -0.174446D+01  0.107364D+01 -0.447360D+02  0.126090D+02  0.135373D+02
      4   0.124473D+02 -0.333568D+01 -0.268971D+02  0.194740D+02  0.863966D+01
      5  -0.246325D+01  0.765188D+02 -0.343244D+02  0.933296D+01  0.243175D+02
      6   0.417106D+01  0.323313D+01  0.140401D+01 -0.937145D+00 -0.439753D+00
               211           212           213           214           215 
      1  -0.531468D+02  0.235483D+02  0.124892D+02 -0.519803D+02  0.998674D+01
      2   0.271382D+02 -0.961822D+01 -0.721903D+01  0.289642D+02 -0.612751D+01
      3   0.260086D+02 -0.139300D+02 -0.527020D+01  0.230160D+02 -0.385923D+01
      4   0.305006D+02 -0.193462D+02 -0.144677D+02  0.120684D+02 -0.167201D+02
      5   0.162947D+02 -0.149785D+02 -0.165414D+02  0.379179D+02 -0.131213D+02
      6  -0.255343D+01  0.216063D+01  0.253300D+01 -0.153697D+01  0.276858D+01
               216           217           218           219           220 
      1   0.281461D+02  0.328890D+02 -0.185564D+02 -0.126210D+02 -0.155796D+02
      2  -0.190552D+02 -0.820667D+01 -0.421785D+00  0.440935D+01 -0.217983D+01
      3  -0.909096D+01 -0.246823D+02  0.189782D+02  0.821170D+01  0.177594D+02
      4  -0.125037D+02 -0.390841D+02  0.359660D+02  0.139384D+02  0.349267D+02
      5  -0.248940D+02 -0.182479D+02  0.108641D+02  0.147366D+02  0.109948D+02
      6   0.219551D+01  0.905958D+01 -0.637358D+01 -0.783355D+01 -0.728102D+01
               221           222           223           224           225 
      1   0.952973D+01  0.280104D+01 -0.182878D+02  0.437317D+01  0.762823D+01
      2   0.113309D+02  0.406423D+01  0.632479D+01  0.491134D+01 -0.253919D+01
      3  -0.208606D+02 -0.686527D+01  0.119630D+02 -0.928451D+01 -0.508904D+01
      4  -0.430102D+02 -0.173728D+02  0.216213D+02 -0.266162D+02 -0.210065D+02
      5  -0.161835D+02 -0.125124D+02  0.199668D+02 -0.183574D+02 -0.174563D+02
      6   0.113935D+02  0.925377D+01 -0.103046D+02  0.121428D+02  0.100944D+02
               226           227           228           229           230 
      1   0.266866D+01 -0.611176D+01  0.704207D+01 -0.368662D+01 -0.102309D+01
      2  -0.831829D+00  0.137224D+01 -0.426374D+01  0.843645D-01  0.311502D+01
      3  -0.183683D+01  0.473952D+01 -0.277833D+01  0.360226D+01 -0.209193D+01
      4  -0.941451D+01  0.100370D+02 -0.497018D+01  0.848245D+01 -0.104721D+02
      5   0.899177D+01 -0.321556D+01  0.117284D+02 -0.210831D+01  0.900315D+01
      6  -0.344202D+01  0.148168D+01 -0.417878D+01  0.217406D+01 -0.637387D+01
               231           232           233           234           235 
      1   0.352838D+01  0.114237D+02  0.567306D+01 -0.438305D+01 -0.560042D+02
      2  -0.419726D+01 -0.661540D+01 -0.667902D+01 -0.487478D+01  0.319341D+02
      3   0.668878D+00 -0.480826D+01  0.100596D+01  0.925783D+01  0.240701D+02
      4   0.938504D+01 -0.934513D+01  0.187261D+02 -0.209064D+02  0.934951D+01
      5  -0.924524D+01  0.158727D+02 -0.183018D+02  0.490305D+02 -0.490895D+01
      6   0.101592D+02 -0.684268D+01  0.135593D+02 -0.261831D+02  0.456363D+01
               236           237           238           239           240 
      1  -0.195682D+02 -0.954273D+01 -0.137736D+02 -0.160401D+02 -0.334783D+01
      2   0.172743D+02  0.509674D+01  0.125301D+02  0.142670D+02  0.332867D+01
      3   0.229391D+01  0.444599D+01  0.124349D+01  0.177305D+01  0.191594D-01
      4  -0.702747D+01  0.208489D+01 -0.999675D+00 -0.209153D+01 -0.201887D+01
      5  -0.556190D+00 -0.244002D+01 -0.818620D+00 -0.281302D+01 -0.285007D+01
      6   0.202486D+01  0.380090D+01  0.149103D+01  0.247621D+01  0.357040D+01
               241           242           243           244           245 
      1  -0.100675D+02 -0.490953D+01 -0.781823D+01  0.170578D+01 -0.596071D+01
      2   0.485558D+01  0.447125D+01  0.394056D+01 -0.594619D+01  0.421271D+01
      3   0.521196D+01  0.438272D+00  0.387768D+01  0.424041D+01  0.174800D+01
      4   0.198291D+01 -0.456625D+01 -0.407358D+01 -0.768974D+01  0.511984D+01
      5  -0.597524D-01 -0.526509D+01  0.700340D+00  0.114799D+02 -0.314897D+01
      6   0.278987D+01  0.487465D+01  0.973634D+00 -0.366659D+01  0.120657D+01
               246           247           248           249           250 
      1   0.522081D+01 -0.825374D+01 -0.827628D+00  0.332831D+01  0.542120D+01
      2  -0.548263D+01  0.554060D+01 -0.212073D+01  0.328187D+01 -0.799317D+01
      3   0.261824D+00  0.271314D+01  0.294836D+01 -0.661018D+01  0.257197D+01
      4  -0.268073D+01  0.836421D+01 -0.100082D+02  0.986007D+01 -0.335364D+01
      5   0.122573D+02 -0.426423D+01  0.104317D+02 -0.133034D+02  0.176989D+02
      6  -0.102794D+01  0.295839D+01 -0.594240D+01  0.752090D+01 -0.185674D+01
               251           252           253           254           255 
      1   0.161080D+01 -0.519807D+01 -0.404559D+02 -0.317064D+02 -0.326058D+02
      2   0.485660D+01 -0.150668D+02  0.208809D+02  0.179003D+02  0.120183D+02
      3  -0.646741D+01  0.202649D+02  0.195750D+02  0.138061D+02  0.205875D+02
      4   0.117856D+02 -0.111015D+02 -0.408898D+02 -0.602898D+01 -0.113479D+02
      5  -0.109759D+02  0.350491D+02 -0.378221D+02 -0.717520D+01  0.171483D+01
      6   0.667151D+01 -0.631473D+01 -0.193836D+02  0.272916D+01  0.939673D+01
               256           257           258           259           260 
      1  -0.198065D+02 -0.116345D+01 -0.965965D+00 -0.310718D+02  0.123691D+00
      2   0.187198D+02  0.105014D+02  0.141764D+02  0.120973D+02  0.123873D+02
      3   0.108675D+01 -0.933797D+01 -0.132104D+02  0.189745D+02 -0.125110D+02
      4   0.115684D+02  0.249544D+02  0.145723D+02 -0.857570D+01  0.919223D+01
      5  -0.286292D+00  0.154750D+02 -0.114076D+02  0.426136D+01 -0.166007D+02
      6   0.867671D+01  0.130356D+02 -0.693501D+01  0.752462D+01 -0.135247D+02
               261           262           263           264           265 
      1   0.225704D+02  0.293058D+02 -0.164218D+02 -0.133009D+02 -0.101584D+02
      2  -0.198271D+02 -0.121378D+02  0.510320D+01  0.599909D+01  0.147217D+01
      3  -0.274332D+01 -0.171680D+02  0.113186D+02  0.730177D+01  0.868624D+01
      4  -0.100889D+02 -0.273859D+02  0.223947D+02  0.128494D+02  0.180851D+02
      5   0.581734D+01 -0.179582D+02  0.114306D+02  0.145316D+02  0.794503D+01
      6  -0.412048D+01  0.752287D+01 -0.536751D+01 -0.515607D+01 -0.430582D+01
               266           267           268           269           270 
      1   0.648217D+01  0.324095D+01 -0.222480D+02  0.119974D+02  0.124628D+02
      2   0.272532D+01  0.443569D+00  0.104737D+02 -0.318770D+01 -0.706130D+01
      3  -0.920749D+01 -0.368452D+01  0.117743D+02 -0.880967D+01 -0.540154D+01
      4  -0.238919D+02 -0.996477D+01  0.260460D+02 -0.266361D+02 -0.212008D+02
      5  -0.913094D+01 -0.864708D+01  0.244985D+02 -0.191933D+02 -0.244957D+02
      6   0.639810D+01  0.505203D+01 -0.103050D+02  0.104663D+02  0.113071D+02
               271           272           273           274           275 
      1  -0.137877D+02  0.175325D+02  0.204163D+02  0.826374D+01 -0.161648D+02
      2   0.554290D+01 -0.124750D+02 -0.694818D+01 -0.637028D+01  0.122244D+02
      3   0.824481D+01 -0.505756D+01 -0.134681D+02 -0.189345D+01  0.394033D+01
      4  -0.135707D+01 -0.291698D+01  0.165019D+01  0.689420D+00  0.311509D+01
      5   0.334167D+01 -0.221497D+01 -0.430947D+01  0.117319D+00  0.348015D+01
      6   0.927747D+01 -0.101675D+02 -0.124410D+02 -0.462996D+01  0.114083D+02
               276           277           278           279           280 
      1  -0.114359D+02  0.160973D+02 -0.164792D+02 -0.282825D+02  0.158457D+01
      2   0.686004D+01 -0.537955D+01  0.828540D+01  0.600835D+01  0.182485D+01
      3   0.457589D+01 -0.107178D+02  0.819380D+01  0.222741D+02 -0.340942D+01
      4   0.301655D+01  0.561997D+01  0.723182D+01  0.596316D+01  0.543207D+01
      5   0.597797D+01  0.983636D+00  0.110112D+02  0.160060D+02 -0.356325D+00
      6   0.125748D+02 -0.589527D+01  0.176558D+02  0.229665D+02 -0.107147D+01
               281           282           283           284           285 
      1   0.879129D+01 -0.105788D+01  0.619003D+01 -0.117803D+02  0.504362D+01
      2  -0.706193D+01  0.179815D+01 -0.297018D+01  0.222743D+02 -0.122923D+02
      3  -0.172936D+01 -0.740268D+00 -0.321985D+01 -0.104940D+02  0.724866D+01
      4   0.186477D+01 -0.433070D+00  0.511870D+01  0.147208D+02 -0.882520D+01
      5   0.173528D+01 -0.969708D+00  0.303236D+00 -0.108362D+02  0.961112D+01
      6   0.335808D-01 -0.281486D+01 -0.513703D+00 -0.729761D+01  0.883456D+01
               286           287           288           289           290 
      1  -0.532218D+01  0.878958D+01 -0.846028D+01  0.770656D+02  0.184371D+02
      2   0.192628D+01 -0.190099D+02  0.123254D+02 -0.356080D+02 -0.230500D+01
      3   0.339590D+01  0.102203D+02 -0.386508D+01 -0.414577D+02 -0.161321D+02
      4  -0.644103D+01 -0.177754D+02  0.692634D+01  0.553665D+02  0.302511D+02
      5  -0.825539D+00  0.956122D+01 -0.182360D+02  0.417691D+02  0.142629D+02
      6  -0.205352D+01  0.785773D+01 -0.132651D+02  0.160159D+02  0.937738D+01
               291           292           293           294           295 
      1   0.173513D+02  0.922169D+01  0.916286D+01  0.195811D+01  0.149224D+02
      2  -0.104811D+02  0.124509D+01 -0.374612D+00 -0.608825D+00 -0.103462D+02
      3  -0.687023D+01 -0.104668D+02 -0.878825D+01 -0.134929D+01 -0.457621D+01
      4   0.156663D+02  0.221349D+02  0.141719D+02  0.537877D+01  0.141163D+02
      5   0.209081D+02  0.760769D+01  0.658647D+01  0.522066D+01  0.224211D+02
      6   0.862951D+01  0.646103D+01  0.435261D+01  0.519862D+01  0.879936D+01
               296           297 
      1   0.272066D+01  0.735028D+01
      2  -0.211855D+01 -0.539182D+01
      3  -0.602108D+00 -0.195846D+01
      4   0.743466D+01  0.111147D+02
      5   0.984960D+01  0.144266D+02
      6   0.743361D+01  0.732333D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Sep 27 15:46:38 2021, MaxMem=  6442450944 cpu:           45861.1 elap:            5739.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.51643 -19.46383 -10.58604 -10.46595 -10.45786
 Alpha  occ. eigenvalues --  -10.45108 -10.44662 -10.44440 -10.44398 -10.44324
 Alpha  occ. eigenvalues --  -10.44298 -10.43775 -10.43604 -10.42649 -10.42254
 Alpha  occ. eigenvalues --   -1.24747  -1.14602  -1.00947  -0.96172  -0.93521
 Alpha  occ. eigenvalues --   -0.88091  -0.87744  -0.81540  -0.81304  -0.79980
 Alpha  occ. eigenvalues --   -0.74099  -0.72718  -0.69688  -0.68313  -0.64037
 Alpha  occ. eigenvalues --   -0.62787  -0.61304  -0.59700  -0.58313  -0.56811
 Alpha  occ. eigenvalues --   -0.56210  -0.55765  -0.54619  -0.53710  -0.53393
 Alpha  occ. eigenvalues --   -0.52318  -0.50298  -0.49502  -0.49068  -0.48061
 Alpha  occ. eigenvalues --   -0.47473  -0.47212  -0.45519  -0.44886  -0.44296
 Alpha  occ. eigenvalues --   -0.43545  -0.42787  -0.42465  -0.40163  -0.35470
 Alpha  occ. eigenvalues --   -0.33625
 Alpha virt. eigenvalues --    0.03581   0.05057   0.05225   0.05655   0.06138
 Alpha virt. eigenvalues --    0.06283   0.07211   0.07769   0.08209   0.09289
 Alpha virt. eigenvalues --    0.09617   0.10336   0.10784   0.11619   0.12371
 Alpha virt. eigenvalues --    0.12523   0.13072   0.13551   0.14470   0.15190
 Alpha virt. eigenvalues --    0.15881   0.16599   0.17493   0.18099   0.18235
 Alpha virt. eigenvalues --    0.18609   0.19105   0.19619   0.19753   0.20353
 Alpha virt. eigenvalues --    0.20777   0.21309   0.21893   0.22501   0.22756
 Alpha virt. eigenvalues --    0.23602   0.23865   0.24158   0.24970   0.25691
 Alpha virt. eigenvalues --    0.26131   0.27059   0.27405   0.27744   0.28493
 Alpha virt. eigenvalues --    0.28553   0.28794   0.29799   0.30138   0.30631
 Alpha virt. eigenvalues --    0.31051   0.31651   0.32221   0.32534   0.32914
 Alpha virt. eigenvalues --    0.33239   0.33668   0.34002   0.34512   0.35139
 Alpha virt. eigenvalues --    0.35294   0.35814   0.35952   0.36206   0.36634
 Alpha virt. eigenvalues --    0.36907   0.37084   0.37374   0.37750   0.38035
 Alpha virt. eigenvalues --    0.38528   0.38690   0.39379   0.39547   0.39818
 Alpha virt. eigenvalues --    0.40034   0.40506   0.40735   0.40963   0.41456
 Alpha virt. eigenvalues --    0.41792   0.41990   0.42104   0.42728   0.43007
 Alpha virt. eigenvalues --    0.43198   0.43358   0.43814   0.44237   0.44634
 Alpha virt. eigenvalues --    0.44936   0.45058   0.45745   0.46089   0.46437
 Alpha virt. eigenvalues --    0.46720   0.47617   0.47834   0.48065   0.48414
 Alpha virt. eigenvalues --    0.48589   0.49198   0.49521   0.50046   0.50537
 Alpha virt. eigenvalues --    0.50796   0.50990   0.51139   0.51612   0.51851
 Alpha virt. eigenvalues --    0.52149   0.52902   0.53037   0.53643   0.54290
 Alpha virt. eigenvalues --    0.54612   0.54925   0.55282   0.55804   0.55911
 Alpha virt. eigenvalues --    0.56410   0.56665   0.56813   0.57639   0.58457
 Alpha virt. eigenvalues --    0.59045   0.59267   0.59454   0.60040   0.60141
 Alpha virt. eigenvalues --    0.60678   0.61290   0.61715   0.62025   0.62561
 Alpha virt. eigenvalues --    0.63146   0.63640   0.64189   0.64501   0.64813
 Alpha virt. eigenvalues --    0.65314   0.65747   0.66276   0.66993   0.67667
 Alpha virt. eigenvalues --    0.67791   0.68522   0.68848   0.69168   0.69717
 Alpha virt. eigenvalues --    0.70228   0.71073   0.71157   0.72282   0.72573
 Alpha virt. eigenvalues --    0.72632   0.73216   0.74238   0.75104   0.75417
 Alpha virt. eigenvalues --    0.75984   0.77030   0.77399   0.77785   0.78808
 Alpha virt. eigenvalues --    0.79220   0.79366   0.80221   0.80490   0.81259
 Alpha virt. eigenvalues --    0.81854   0.82791   0.83172   0.84545   0.84858
 Alpha virt. eigenvalues --    0.86127   0.87192   0.87609   0.88476   0.89406
 Alpha virt. eigenvalues --    0.89577   0.90396   0.91264   0.92262   0.93899
 Alpha virt. eigenvalues --    0.94675   0.95508   0.98443   0.99271   0.99689
 Alpha virt. eigenvalues --    1.01014   1.01347   1.03096   1.04341   1.05110
 Alpha virt. eigenvalues --    1.05700   1.06173   1.06911   1.07892   1.08456
 Alpha virt. eigenvalues --    1.09130   1.09243   1.10053   1.10508   1.10834
 Alpha virt. eigenvalues --    1.11645   1.12250   1.12623   1.13367   1.14032
 Alpha virt. eigenvalues --    1.14911   1.15814   1.16090   1.16745   1.18662
 Alpha virt. eigenvalues --    1.19592   1.21679   1.22717   1.23263   1.24688
 Alpha virt. eigenvalues --    1.25479   1.25851   1.26224   1.26857   1.27781
 Alpha virt. eigenvalues --    1.29464   1.30374   1.30965   1.31753   1.33524
 Alpha virt. eigenvalues --    1.34343   1.35640   1.35818   1.37188   1.37471
 Alpha virt. eigenvalues --    1.39160   1.39760   1.40856   1.41604   1.42655
 Alpha virt. eigenvalues --    1.43862   1.45472   1.46294   1.46676   1.48754
 Alpha virt. eigenvalues --    1.50239   1.50699   1.52357   1.53612   1.54389
 Alpha virt. eigenvalues --    1.56838   1.57891   1.59065   1.61401   1.62653
 Alpha virt. eigenvalues --    1.64581   1.65170   1.67501   1.68645   1.70241
 Alpha virt. eigenvalues --    1.72797   1.73700   1.74623   1.76295   1.76649
 Alpha virt. eigenvalues --    1.77904   1.78736   1.80473   1.82360   1.83212
 Alpha virt. eigenvalues --    1.83632   1.84271   1.85403   1.86748   1.87373
 Alpha virt. eigenvalues --    1.88514   1.90417   1.90507   1.92287   1.93610
 Alpha virt. eigenvalues --    1.93730   1.94883   1.95321   1.96137   1.97528
 Alpha virt. eigenvalues --    1.98456   1.99465   1.99919   2.00346   2.01242
 Alpha virt. eigenvalues --    2.02679   2.03197   2.03791   2.04803   2.05643
 Alpha virt. eigenvalues --    2.07054   2.09302   2.10136   2.10600   2.10686
 Alpha virt. eigenvalues --    2.11381   2.13556   2.14184   2.14947   2.15885
 Alpha virt. eigenvalues --    2.16922   2.17330   2.18387   2.18732   2.19610
 Alpha virt. eigenvalues --    2.20205   2.21738   2.22102   2.23656   2.24711
 Alpha virt. eigenvalues --    2.25244   2.27131   2.27942   2.28493   2.28926
 Alpha virt. eigenvalues --    2.30378   2.31262   2.32179   2.33436   2.34617
 Alpha virt. eigenvalues --    2.35271   2.37492   2.38715   2.39312   2.41569
 Alpha virt. eigenvalues --    2.44763   2.45388   2.47407   2.49214   2.50515
 Alpha virt. eigenvalues --    2.50969   2.51770   2.52995   2.54414   2.55298
 Alpha virt. eigenvalues --    2.58625   2.59272   2.61010   2.63458   2.64105
 Alpha virt. eigenvalues --    2.64927   2.66946   2.68457   2.69168   2.71052
 Alpha virt. eigenvalues --    2.73111   2.74314   2.74733   2.76136   2.76631
 Alpha virt. eigenvalues --    2.77729   2.79195   2.80256   2.81327   2.87880
 Alpha virt. eigenvalues --    2.92707   2.94682   2.95203   2.98294   3.01408
 Alpha virt. eigenvalues --    3.02148   3.02793   3.05096   3.08242   3.08800
 Alpha virt. eigenvalues --    3.10711   3.11107   3.12700   3.13511   3.14718
 Alpha virt. eigenvalues --    3.15574   3.18411   3.21926   3.22939   3.24387
 Alpha virt. eigenvalues --    3.25114   3.26171   3.28105   3.29730   3.31487
 Alpha virt. eigenvalues --    3.32721   3.35273   3.36398   3.43109   3.46502
 Alpha virt. eigenvalues --    3.69720   3.74126   3.88435   4.00763
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   10.706821  -1.958039  -2.081054   0.916868   0.028447   0.018667
     2  C   -1.958039  13.935138   0.767689  -0.868161   0.510120  -1.238172
     3  C   -2.081054   0.767689  11.021554  -1.703055  -0.099943  -0.027100
     4  C    0.916868  -0.868161  -1.703055  13.537244  -1.620131   0.573298
     5  C    0.028447   0.510120  -0.099943  -1.620131  10.324939  -1.848753
     6  C    0.018667  -1.238172  -0.027100   0.573298  -1.848753  10.148740
     7  C   -1.075792   0.025542   0.052696   0.187650   0.001939  -1.022340
     8  C   -0.007553   0.023252  -0.001996   0.003068  -0.005298   0.023427
     9  C   -0.002172  -0.022016  -0.000892  -0.000184   0.000159  -0.012025
    10  C   -0.008020  -0.052234   0.003575  -0.006151  -0.003923   0.024749
    11  C    0.056474   0.137970  -1.176050   0.381994  -0.904668   0.024860
    12  C   -0.006396   0.026735  -0.126116  -0.068347  -0.210776  -0.000976
    13  O    0.002465  -0.005343   0.023460   0.019155   0.017674   0.006200
    14  O    0.000585  -0.001267   0.005070   0.012556  -0.009139   0.000297
    15  H    0.343944  -1.788950  -0.793952   0.056952   0.216307   0.048416
    16  H   -0.692781  -0.007210   0.420990  -1.981987   0.107459   0.243071
    17  H    0.189442  -0.016228   0.043402  -1.897116   0.356665  -0.494842
    18  H    0.100070  -1.800124   0.223165   0.056986  -0.669530   0.021538
    19  H   -0.018397  -0.072572  -0.004144  -0.008021  -0.000536   0.128455
    20  H    0.088343  -0.178789   0.012655   0.008521   0.038464  -0.123809
    21  H   -0.115350   0.004004   0.007403   0.000077  -0.000550  -0.038234
    22  H    0.000118   0.000713  -0.000159  -0.000017   0.000104  -0.003035
    23  H   -0.001289   0.002367   0.000030  -0.000024  -0.000174   0.003052
    24  H    0.001314   0.007563  -0.000002  -0.000014  -0.000018   0.001291
    25  H   -0.010445   0.012902   0.000134   0.000505   0.001962  -0.012348
    26  H   -0.000672  -0.029915  -0.000363  -0.000395   0.000880   0.002047
    27  H    0.034239  -0.003381   0.004774  -0.004585  -0.005703   0.009263
    28  H    0.020094  -0.003632  -0.145444  -0.253545   0.130770   0.021982
    29  C    0.005705   0.002650  -0.009935   0.014696  -0.094487  -0.008473
    30  H   -0.000286  -0.000094   0.001485  -0.008643   0.000847  -0.000325
    31  H   -0.003377  -0.002280   0.053881  -0.052605   0.012585  -0.001862
    32  H   -0.000792   0.000832  -0.007396  -0.015915  -0.026375   0.005693
    33  H   -0.000318   0.000627  -0.015205  -0.030442  -0.007451  -0.000445
               7          8          9         10         11         12
     1  C   -1.075792  -0.007553  -0.002172  -0.008020   0.056474  -0.006396
     2  C    0.025542   0.023252  -0.022016  -0.052234   0.137970   0.026735
     3  C    0.052696  -0.001996  -0.000892   0.003575  -1.176050  -0.126116
     4  C    0.187650   0.003068  -0.000184  -0.006151   0.381994  -0.068347
     5  C    0.001939  -0.005298   0.000159  -0.003923  -0.904668  -0.210776
     6  C   -1.022340   0.023427  -0.012025   0.024749   0.024860  -0.000976
     7  C    7.403908   0.120582  -0.009180  -0.069714  -0.002433  -0.000523
     8  C    0.120582   5.864623   0.367274   0.441750  -0.000756   0.000018
     9  C   -0.009180   0.367274   4.395923  -0.048013   0.000008   0.000000
    10  C   -0.069714   0.441750  -0.048013   4.188929   0.000132   0.000011
    11  C   -0.002433  -0.000756   0.000008   0.000132   7.673532   0.361413
    12  C   -0.000523   0.000018   0.000000   0.000011   0.361413   5.138388
    13  O    0.000065   0.000008  -0.000000  -0.000008  -0.194597   0.540491
    14  O   -0.000026   0.000037  -0.000000  -0.000001  -0.119471   0.246838
    15  H   -0.486461   0.002957   0.005590  -0.001039   0.020363   0.002555
    16  H    0.019121   0.001510  -0.000096  -0.000402  -0.509126  -0.078070
    17  H    0.007482  -0.000180   0.000044  -0.001278  -0.353952  -0.040173
    18  H   -0.372817  -0.002779  -0.003734   0.025088   0.001019   0.007690
    19  H   -0.000454   0.010939  -0.099977   0.019259  -0.000136   0.000024
    20  H    0.087072   0.055581  -0.000530  -0.021927  -0.000073   0.000053
    21  H    0.078769   0.097095  -0.065620   0.024576  -0.000062   0.000005
    22  H   -0.023158  -0.053982   0.432097   0.010010   0.000001  -0.000000
    23  H   -0.009266   0.157198   0.109264  -0.016692  -0.000001   0.000000
    24  H    0.010947   0.134956   0.183949  -0.023496  -0.000001   0.000000
    25  H    0.067600   0.089961  -0.010343   0.176532   0.000030  -0.000002
    26  H   -0.043118   0.105958  -0.016536   0.203547   0.000038  -0.000002
    27  H   -0.171916   0.136406   0.007426   0.229534  -0.000168   0.000002
    28  H    0.000161  -0.000045   0.000000   0.000010   0.105256  -0.182253
    29  C   -0.000239   0.000089  -0.000001  -0.000008   0.375058   0.014478
    30  H   -0.000001  -0.000001   0.000000  -0.000000   0.015980   0.103562
    31  H    0.000045   0.000011  -0.000000   0.000010   0.067320   0.003291
    32  H   -0.000020  -0.000005   0.000000   0.000004   0.086074  -0.011177
    33  H   -0.000007   0.000000   0.000000  -0.000000   0.167113   0.001118
              13         14         15         16         17         18
     1  C    0.002465   0.000585   0.343944  -0.692781   0.189442   0.100070
     2  C   -0.005343  -0.001267  -1.788950  -0.007210  -0.016228  -1.800124
     3  C    0.023460   0.005070  -0.793952   0.420990   0.043402   0.223165
     4  C    0.019155   0.012556   0.056952  -1.981987  -1.897116   0.056986
     5  C    0.017674  -0.009139   0.216307   0.107459   0.356665  -0.669530
     6  C    0.006200   0.000297   0.048416   0.243071  -0.494842   0.021538
     7  C    0.000065  -0.000026  -0.486461   0.019121   0.007482  -0.372817
     8  C    0.000008   0.000037   0.002957   0.001510  -0.000180  -0.002779
     9  C   -0.000000  -0.000000   0.005590  -0.000096   0.000044  -0.003734
    10  C   -0.000008  -0.000001  -0.001039  -0.000402  -0.001278   0.025088
    11  C   -0.194597  -0.119471   0.020363  -0.509126  -0.353952   0.001019
    12  C    0.540491   0.246838   0.002555  -0.078070  -0.040173   0.007690
    13  O    7.884508  -0.014124  -0.000192   0.009205  -0.000892  -0.000853
    14  O   -0.014124   8.023327   0.000113  -0.002594  -0.005110  -0.000245
    15  H   -0.000192   0.000113   4.013167  -1.011475  -0.026044   0.080207
    16  H    0.009205  -0.002594  -1.011475   3.795238   0.078966  -0.030386
    17  H   -0.000892  -0.005110  -0.026044   0.078966   3.631705  -0.956920
    18  H   -0.000853  -0.000245   0.080207  -0.030386  -0.956920   3.937082
    19  H    0.000001  -0.000008  -0.008588  -0.001062  -0.000773   0.025216
    20  H   -0.000000  -0.000001   0.031768   0.000047   0.003246  -0.075720
    21  H    0.000000   0.000005  -0.083238   0.001339   0.000568  -0.011483
    22  H   -0.000000  -0.000000   0.001898  -0.000006  -0.000000  -0.000271
    23  H   -0.000000  -0.000000  -0.000516  -0.000000  -0.000001   0.000804
    24  H   -0.000000  -0.000000   0.000981  -0.000004  -0.000002   0.000263
    25  H    0.000000  -0.000000  -0.001272   0.000044   0.000116  -0.005122
    26  H    0.000001  -0.000000  -0.000052  -0.000008   0.000108  -0.005611
    27  H    0.000004   0.000008   0.008719  -0.000418  -0.000053   0.019530
    28  H    0.003075  -0.081015  -0.002674   0.041806   0.027150  -0.000648
    29  C   -0.022169   0.018971   0.001252  -0.043395   0.000842  -0.000060
    30  H   -0.046798   0.170767  -0.000019   0.000291   0.001494  -0.000017
    31  H    0.013520   0.002578  -0.000959   0.021873  -0.006649   0.000093
    32  H    0.001176  -0.000150   0.000189  -0.002538  -0.004687   0.000616
    33  H   -0.016860   0.002884   0.000062  -0.006277   0.003218  -0.000035
              19         20         21         22         23         24
     1  C   -0.018397   0.088343  -0.115350   0.000118  -0.001289   0.001314
     2  C   -0.072572  -0.178789   0.004004   0.000713   0.002367   0.007563
     3  C   -0.004144   0.012655   0.007403  -0.000159   0.000030  -0.000002
     4  C   -0.008021   0.008521   0.000077  -0.000017  -0.000024  -0.000014
     5  C   -0.000536   0.038464  -0.000550   0.000104  -0.000174  -0.000018
     6  C    0.128455  -0.123809  -0.038234  -0.003035   0.003052   0.001291
     7  C   -0.000454   0.087072   0.078769  -0.023158  -0.009266   0.010947
     8  C    0.010939   0.055581   0.097095  -0.053982   0.157198   0.134956
     9  C   -0.099977  -0.000530  -0.065620   0.432097   0.109264   0.183949
    10  C    0.019259  -0.021927   0.024576   0.010010  -0.016692  -0.023496
    11  C   -0.000136  -0.000073  -0.000062   0.000001  -0.000001  -0.000001
    12  C    0.000024   0.000053   0.000005  -0.000000   0.000000   0.000000
    13  O    0.000001  -0.000000   0.000000  -0.000000  -0.000000  -0.000000
    14  O   -0.000008  -0.000001   0.000005  -0.000000  -0.000000  -0.000000
    15  H   -0.008588   0.031768  -0.083238   0.001898  -0.000516   0.000981
    16  H   -0.001062   0.000047   0.001339  -0.000006  -0.000000  -0.000004
    17  H   -0.000773   0.003246   0.000568  -0.000000  -0.000001  -0.000002
    18  H    0.025216  -0.075720  -0.011483  -0.000271   0.000804   0.000263
    19  H    1.213071  -0.292166   0.075507  -0.046897   0.006626   0.014906
    20  H   -0.292166   1.229215  -0.026906  -0.000500  -0.043136   0.001292
    21  H    0.075507  -0.026906   1.295909  -0.019795   0.002363   0.016594
    22  H   -0.046897  -0.000500  -0.019795   0.869030  -0.111798  -0.099278
    23  H    0.006626  -0.043136   0.002363  -0.111798   0.827225  -0.009796
    24  H    0.014906   0.001292   0.016594  -0.099278  -0.009796   0.823480
    25  H   -0.003963  -0.002243   0.047432   0.015599  -0.024870  -0.005327
    26  H   -0.009762   0.037888  -0.017457  -0.003056   0.010400  -0.012656
    27  H    0.004697  -0.013477  -0.044763  -0.004671   0.002186   0.008838
    28  H   -0.000001   0.000013   0.000010  -0.000000  -0.000000   0.000000
    29  C    0.000014  -0.000036  -0.000000  -0.000000   0.000000   0.000000
    30  H    0.000000  -0.000000  -0.000000   0.000000   0.000000  -0.000000
    31  H    0.000001   0.000003   0.000008  -0.000000  -0.000000  -0.000000
    32  H   -0.000001   0.000001   0.000000   0.000000   0.000000   0.000000
    33  H   -0.000000   0.000000   0.000000   0.000000   0.000000   0.000000
              25         26         27         28         29         30
     1  C   -0.010445  -0.000672   0.034239   0.020094   0.005705  -0.000286
     2  C    0.012902  -0.029915  -0.003381  -0.003632   0.002650  -0.000094
     3  C    0.000134  -0.000363   0.004774  -0.145444  -0.009935   0.001485
     4  C    0.000505  -0.000395  -0.004585  -0.253545   0.014696  -0.008643
     5  C    0.001962   0.000880  -0.005703   0.130770  -0.094487   0.000847
     6  C   -0.012348   0.002047   0.009263   0.021982  -0.008473  -0.000325
     7  C    0.067600  -0.043118  -0.171916   0.000161  -0.000239  -0.000001
     8  C    0.089961   0.105958   0.136406  -0.000045   0.000089  -0.000001
     9  C   -0.010343  -0.016536   0.007426   0.000000  -0.000001   0.000000
    10  C    0.176532   0.203547   0.229534   0.000010  -0.000008  -0.000000
    11  C    0.000030   0.000038  -0.000168   0.105256   0.375058   0.015980
    12  C   -0.000002  -0.000002   0.000002  -0.182253   0.014478   0.103562
    13  O    0.000000   0.000001   0.000004   0.003075  -0.022169  -0.046798
    14  O   -0.000000  -0.000000   0.000008  -0.081015   0.018971   0.170767
    15  H   -0.001272  -0.000052   0.008719  -0.002674   0.001252  -0.000019
    16  H    0.000044  -0.000008  -0.000418   0.041806  -0.043395   0.000291
    17  H    0.000116   0.000108  -0.000053   0.027150   0.000842   0.001494
    18  H   -0.005122  -0.005611   0.019530  -0.000648  -0.000060  -0.000017
    19  H   -0.003963  -0.009762   0.004697  -0.000001   0.000014   0.000000
    20  H   -0.002243   0.037888  -0.013477   0.000013  -0.000036  -0.000000
    21  H    0.047432  -0.017457  -0.044763   0.000010  -0.000000  -0.000000
    22  H    0.015599  -0.003056  -0.004671  -0.000000  -0.000000   0.000000
    23  H   -0.024870   0.010400   0.002186  -0.000000   0.000000   0.000000
    24  H   -0.005327  -0.012656   0.008838   0.000000   0.000000  -0.000000
    25  H    1.068024  -0.091662  -0.227617  -0.000000  -0.000007   0.000000
    26  H   -0.091662   0.764814   0.011431   0.000001  -0.000006  -0.000000
    27  H   -0.227617   0.011431   1.030587   0.000005   0.000101  -0.000000
    28  H   -0.000000   0.000001   0.000005   1.417815  -0.235356  -0.005607
    29  C   -0.000007  -0.000006   0.000101  -0.235356   4.352730   0.003151
    30  H    0.000000  -0.000000  -0.000000  -0.005607   0.003151   0.535889
    31  H   -0.000001   0.000001   0.000033   0.013800   0.174830  -0.000359
    32  H   -0.000001   0.000001  -0.000003  -0.007100   0.298565   0.000030
    33  H    0.000000  -0.000000  -0.000001  -0.006025   0.242358   0.000290
              31         32         33
     1  C   -0.003377  -0.000792  -0.000318
     2  C   -0.002280   0.000832   0.000627
     3  C    0.053881  -0.007396  -0.015205
     4  C   -0.052605  -0.015915  -0.030442
     5  C    0.012585  -0.026375  -0.007451
     6  C   -0.001862   0.005693  -0.000445
     7  C    0.000045  -0.000020  -0.000007
     8  C    0.000011  -0.000005   0.000000
     9  C   -0.000000   0.000000   0.000000
    10  C    0.000010   0.000004  -0.000000
    11  C    0.067320   0.086074   0.167113
    12  C    0.003291  -0.011177   0.001118
    13  O    0.013520   0.001176  -0.016860
    14  O    0.002578  -0.000150   0.002884
    15  H   -0.000959   0.000189   0.000062
    16  H    0.021873  -0.002538  -0.006277
    17  H   -0.006649  -0.004687   0.003218
    18  H    0.000093   0.000616  -0.000035
    19  H    0.000001  -0.000001  -0.000000
    20  H    0.000003   0.000001   0.000000
    21  H    0.000008   0.000000   0.000000
    22  H   -0.000000   0.000000   0.000000
    23  H   -0.000000   0.000000   0.000000
    24  H   -0.000000   0.000000   0.000000
    25  H   -0.000001  -0.000001   0.000000
    26  H    0.000001   0.000001  -0.000000
    27  H    0.000033  -0.000003  -0.000001
    28  H    0.013800  -0.007100  -0.006025
    29  C    0.174830   0.298565   0.242358
    30  H   -0.000359   0.000030   0.000290
    31  H    0.803993  -0.018295  -0.102768
    32  H   -0.018295   0.673454  -0.007110
    33  H   -0.102768  -0.007110   0.680129
 Mulliken charges:
               1
     1  C   -0.530863
     2  C   -1.409696
     3  C   -0.449156
     4  C   -1.250232
     5  C   -0.241868
     6  C   -0.472308
     7  C    1.223887
     8  C   -1.564105
     9  C    0.789583
    10  C    0.905189
    11  C   -0.213141
    12  C    0.278140
    13  O   -0.219173
    14  O   -0.250884
    15  H    0.369992
    16  H    0.626875
    17  H    0.460452
    18  H    0.436987
    19  H    0.068742
    20  H    0.185151
    21  H   -0.228206
    22  H    0.037056
    23  H    0.096048
    24  H   -0.055782
    25  H   -0.085619
    26  H    0.094159
    27  H   -0.031027
    28  H    0.141396
    29  C    0.908680
    30  H    0.228365
    31  H    0.021279
    32  H    0.034928
    33  H    0.095147
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.160871
     2  C   -1.409696
     3  C    0.177720
     4  C   -1.250232
     5  C    0.218584
     6  C   -0.035320
     7  C    1.477781
     8  C   -1.792312
     9  C    0.866906
    10  C    0.882703
    11  C   -0.071745
    12  C    0.278140
    13  O   -0.219173
    14  O   -0.022518
    29  C    1.060033
 Electronic spatial extent (au):  <R**2>=           4747.9210
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.1564    Y=             -0.8279    Z=              1.2451  Tot=              1.8903
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -90.1360   YY=            -91.6214   ZZ=            -89.7669
   XY=             -3.8127   XZ=              4.6276   YZ=              1.5203
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.3721   YY=             -1.1133   ZZ=              0.7412
   XY=             -3.8127   XZ=              4.6276   YZ=              1.5203
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             23.8475  YYY=             -6.7176  ZZZ=             -0.3720  XYY=             15.8355
  XXY=            -32.0537  XXZ=             15.2072  XZZ=              3.8661  YZZ=             -6.3496
  YYZ=             -3.5797  XYZ=             19.0727
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5233.8022 YYYY=           -634.3113 ZZZZ=           -477.4109 XXXY=           -183.0573
 XXXZ=             10.6388 YYYX=            -23.4890 YYYZ=              9.7935 ZZZX=              7.4641
 ZZZY=             -8.7698 XXYY=           -934.9100 XXZZ=           -964.6955 YYZZ=           -175.1747
 XXYZ=             85.6879 YYXZ=            -37.2043 ZZXY=            -28.6731
 N-N= 9.705837382899D+02 E-N=-3.462741860304D+03  KE= 6.480783642095D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Sep 27 15:46:40 2021, MaxMem=  6442450944 cpu:               4.6 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.18087615D-01-3.41454671D-01 4.50648749D-01
 Polarizability= 2.08367578D+02 9.31197296D+00 1.34084396D+02
                 3.07554708D+00-9.21755552D+00 1.37122516D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.7983   -1.7729        4.9234    4.9253
 2      1.7983    1.7729        4.8864    4.8875      -38.4693  -38.4692
 3     -4.9234   -4.9253       36.6099   36.6127       -4.8853   -4.8875
 4     -4.8864   -4.8875        0.0000    0.0000       -4.9293   -4.9253
 5      1.8595    1.8565        4.9293    4.9253       -1.7908   -1.7729
 6      4.8853    4.8875        1.7908    1.7729       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        5.3188    5.3188       14.7759   14.7759
 2    -14.6626  -14.6626        0.0000    0.0000       14.7759   14.7759
 3    -14.6626  -14.6626        5.3188    5.3188       -0.0000    0.0000
 4      5.3188    5.3188       14.6626   14.6626     -115.4077 -115.4077
 5    -14.7759  -14.7759      109.8381  109.8381      -14.6626  -14.6626
 6      5.5696    5.5696       14.7759   14.7759       -5.3188   -5.3188
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.6344    0.0000        6.4967    7.0918      -19.6436  -19.7012
 2     -6.5444   -7.0918      -19.8001  -19.5501      153.6337  153.8769
 3     20.2934   19.7012     -147.0977 -146.4508       18.9963   19.5501
 4     19.4502   19.5501       -0.0305    0.0000       19.8484   19.7012
 5     -7.0992   -7.4261      -19.9910  -19.7012        6.8896    7.0918
 6    -19.3121  -19.5501       -6.8074   -7.0918        0.0620    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2970    0.0000      -13.6367  -13.5823       30.5858   29.6973
 2     13.1501   13.5823        0.9737   -1.2285       13.1335   13.1237
 3    -29.9505  -29.6973      -15.4658  -13.6146        2.8249    1.2285
 4      1.0508    1.2285       -0.2630    0.0000      -29.4208  -29.6973
 5     -0.4726    0.4909       29.5245   29.6973      -14.2728  -13.5823
 6     -1.3952   -1.2285       14.2028   13.5823       -0.8360    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -12.0507  -11.5285        1.0007    1.1039      -42.1692  -42.2090
 2     -5.4111   -5.1354       16.6619   17.2293      -41.0441  -42.2090
 3     -5.6008   -5.1354        0.5449    1.1039      -88.2201  -89.4553
 4    -17.7145  -16.1254       -4.8295   -6.3932       15.5497   16.3797
 5    -46.1451  -47.2463        3.6965    5.5667        8.1664    6.3932
 6    -23.1824  -21.9464       47.2178   47.2463       15.4929   16.1254
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.5129   -0.0005    0.0006    0.0007    1.3541    3.4605
 Low frequencies ---   23.6182   38.0581   44.8628
 Diagonal vibrational polarizability:
       38.9069094      18.4296831      11.9115717
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     23.6088                38.0548                44.8534
 Red. masses --      3.7892                 5.9048                 4.0212
 Frc consts  --      0.0012                 0.0050                 0.0048
 IR Inten    --      0.0864                 1.1818                 0.5689
 RamAct Fr= 1--      0.2466                 0.7277                 2.5308
  Dep-P Fr= 1--      0.7480                 0.7497                 0.7339
  Dep-U Fr= 1--      0.8558                 0.8569                 0.8465
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0007
 Beta2  Fr= 1--      0.0352                 0.1039                 0.3571
 AlphaG Fr= 1--     -0.0002                -0.0003                 0.0044
 Gamma2 Fr= 1--     -0.2403                -0.3436                 0.0089
 Delta2 Fr= 1--     -0.2328                 0.0897                -0.6051
 Raman1 Fr= 1--       0.986                  2.911                 10.123
 ROA1   Fr= 1--     -30.516                -30.112                -18.512
 CID1   Fr= 1--     -30.940                -10.344                 -1.829
 Raman2 Fr= 1--       0.422                  1.247                  4.285
 ROA2   Fr= 1--      -3.904                 -8.963                  5.054
 CID2   Fr= 1--      -9.251                 -7.186                  1.179
 Raman3 Fr= 1--       0.844                  2.495                  8.570
 ROA3   Fr= 1--     -30.516                -30.112                -18.512
 CID3   Fr= 1--     -36.151                -12.071                 -2.160
 RC180  Fr= 1--       0.712                  0.714                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.08    -0.03  -0.06  -0.05    -0.05   0.09   0.03
     2   6     0.01   0.07  -0.06    -0.03  -0.05  -0.05    -0.01  -0.04  -0.03
     3   6     0.00   0.03  -0.06    -0.03  -0.06  -0.05    -0.05   0.09   0.03
     4   6    -0.00   0.08  -0.02    -0.02  -0.07  -0.05    -0.01  -0.02  -0.04
     5   6    -0.00   0.12  -0.00    -0.01  -0.09  -0.06     0.03  -0.16  -0.11
     6   6     0.00   0.12  -0.02    -0.01  -0.07  -0.06     0.03  -0.16  -0.11
     7   6     0.02   0.05  -0.09    -0.04   0.01  -0.03    -0.02  -0.01  -0.02
     8   6    -0.01  -0.09   0.03     0.02   0.03   0.03     0.01  -0.04   0.04
     9   6     0.00  -0.10  -0.03    -0.01   0.15  -0.01    -0.01   0.07  -0.05
    10   6    -0.06  -0.05   0.23     0.12   0.03   0.15     0.11  -0.02   0.21
    11   6     0.00   0.06  -0.01    -0.04  -0.02  -0.01    -0.03   0.02  -0.02
    12   6    -0.00  -0.07   0.04     0.01   0.02   0.02     0.02   0.04   0.02
    13   8     0.03  -0.16  -0.01    -0.20  -0.02  -0.10     0.17   0.08   0.11
    14   8    -0.05  -0.06   0.16     0.35   0.12   0.20    -0.12  -0.00  -0.07
    15   1     0.01  -0.02  -0.11    -0.04  -0.04  -0.05    -0.08   0.18   0.09
    16   1     0.00  -0.01  -0.07    -0.04  -0.05  -0.04    -0.08   0.20   0.09
    17   1    -0.00   0.15   0.02    -0.00  -0.10  -0.06     0.06  -0.25  -0.16
    18   1     0.00   0.16  -0.01    -0.01  -0.08  -0.06     0.06  -0.26  -0.16
    19   1     0.06   0.02  -0.22    -0.08   0.02  -0.07    -0.03  -0.02  -0.08
    20   1     0.01   0.18  -0.06    -0.06   0.07  -0.02    -0.03   0.05  -0.01
    21   1    -0.01  -0.22   0.01    -0.00  -0.07   0.02    -0.03  -0.17   0.03
    22   1     0.04  -0.14  -0.17    -0.09   0.14  -0.10    -0.07   0.05  -0.19
    23   1    -0.00   0.03  -0.01    -0.00   0.26   0.01     0.03   0.22  -0.04
    24   1    -0.02  -0.21   0.04     0.03   0.15   0.04     0.01   0.04   0.00
    25   1    -0.08  -0.15   0.31     0.15   0.03   0.18     0.12  -0.05   0.25
    26   1    -0.06   0.09   0.25     0.15   0.13   0.16     0.17   0.10   0.22
    27   1    -0.07  -0.05   0.27     0.14  -0.05   0.18     0.12  -0.11   0.29
    28   1    -0.04   0.12   0.03    -0.05  -0.01   0.00    -0.03   0.04  -0.00
    29   6     0.06   0.06  -0.12    -0.12  -0.01  -0.01    -0.09   0.03  -0.03
    30   1    -0.05  -0.14   0.19     0.37   0.14   0.21    -0.07   0.01  -0.04
    31   1     0.05   0.15  -0.17    -0.17  -0.03  -0.04    -0.11   0.01  -0.04
    32   1     0.11   0.00  -0.17    -0.10  -0.03  -0.02    -0.11   0.02  -0.04
    33   1     0.06   0.04  -0.11    -0.14   0.04   0.04    -0.10   0.08  -0.02
                      4                      5                      6
                      A                      A                      A
 Frequencies --     55.5603                61.0597               101.8797
 Red. masses --      4.0740                 3.1885                 4.9067
 Frc consts  --      0.0074                 0.0070                 0.0300
 IR Inten    --      0.5370                 0.0050                 0.1598
 RamAct Fr= 1--      2.0183                 1.1417                 2.4046
  Dep-P Fr= 1--      0.7435                 0.7392                 0.6290
  Dep-U Fr= 1--      0.8529                 0.8501                 0.7723
 Alpha2 Fr= 1--      0.0002                 0.0002                 0.0053
 Beta2  Fr= 1--      0.2869                 0.1618                 0.3095
 AlphaG Fr= 1--     -0.0005                 0.0003                 0.0007
 Gamma2 Fr= 1--      1.2639                -1.1792                 1.0028
 Delta2 Fr= 1--      1.3597                -0.5667                 0.5196
 Raman1 Fr= 1--       8.073                  4.567                  9.618
 ROA1   Fr= 1--     164.841               -131.342                112.900
 CID1   Fr= 1--      20.419                -28.760                 11.738
 Raman2 Fr= 1--       3.443                  1.941                  3.714
 ROA2   Fr= 1--      19.455                -23.768                 19.911
 CID2   Fr= 1--       5.651                -12.245                  5.361
 Raman3 Fr= 1--       6.885                  3.882                  7.428
 ROA3   Fr= 1--     164.841               -131.342                112.900
 CID3   Fr= 1--      23.941                -33.832                 15.199
 RC180  Fr= 1--       0.706                  0.700                  0.545
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.18  -0.12    -0.06   0.11  -0.04     0.01  -0.01   0.05
     2   6    -0.01  -0.08  -0.06    -0.01   0.07  -0.07    -0.06   0.06   0.11
     3   6     0.03  -0.15  -0.12    -0.05   0.06  -0.02     0.05  -0.08  -0.04
     4   6    -0.02  -0.02  -0.05     0.00  -0.03  -0.05     0.03  -0.08  -0.07
     5   6    -0.05   0.05  -0.01     0.05  -0.07  -0.08    -0.05  -0.02  -0.01
     6   6    -0.05   0.02  -0.02     0.04  -0.02  -0.10    -0.08   0.05   0.09
     7   6    -0.03  -0.03  -0.00    -0.02   0.09  -0.07    -0.06   0.04   0.13
     8   6     0.07   0.05   0.03    -0.00   0.02   0.02    -0.15   0.04   0.02
     9   6     0.03   0.08   0.20     0.00  -0.11   0.22    -0.11  -0.00  -0.14
    10   6     0.08   0.03  -0.08    -0.16   0.03  -0.04    -0.17   0.04   0.02
    11   6    -0.05   0.06  -0.01    -0.00  -0.06   0.00     0.03  -0.04  -0.08
    12   6     0.02   0.02   0.06     0.05  -0.01   0.03     0.14  -0.01  -0.01
    13   8     0.15   0.01   0.11     0.06   0.01   0.05     0.26   0.03   0.06
    14   8    -0.08   0.00   0.07     0.09  -0.00   0.02     0.17  -0.00  -0.00
    15   1     0.07  -0.27  -0.17    -0.10   0.17  -0.02     0.05  -0.02   0.07
    16   1     0.06  -0.21  -0.16    -0.09   0.09   0.01     0.10  -0.12  -0.08
    17   1    -0.09   0.14   0.04     0.09  -0.13  -0.10    -0.08  -0.00  -0.03
    18   1    -0.08   0.09   0.03     0.08  -0.04  -0.12    -0.13   0.10   0.12
    19   1    -0.07  -0.01   0.04     0.00   0.07  -0.15    -0.04   0.04   0.18
    20   1    -0.07  -0.04   0.00    -0.04   0.17  -0.06    -0.04  -0.04   0.11
    21   1     0.16   0.11   0.02     0.14   0.06   0.00    -0.27   0.06   0.05
    22   1     0.02   0.10   0.29     0.12  -0.11   0.29    -0.12  -0.00  -0.15
    23   1    -0.07   0.01   0.21    -0.14  -0.19   0.24     0.01  -0.02  -0.18
    24   1     0.10   0.14   0.23     0.02  -0.14   0.27    -0.20  -0.01  -0.24
    25   1     0.16   0.08  -0.04    -0.10  -0.01   0.06    -0.26   0.02  -0.07
    26   1    -0.02  -0.03  -0.07    -0.36  -0.01  -0.01    -0.05   0.01  -0.01
    27   1     0.11   0.02  -0.19    -0.14   0.10  -0.22    -0.21   0.08   0.14
    28   1    -0.07   0.12   0.03    -0.04  -0.09  -0.01     0.03  -0.01  -0.06
    29   6    -0.12   0.08  -0.08    -0.01  -0.06   0.07    -0.05  -0.03  -0.11
    30   1    -0.03  -0.02   0.12     0.13   0.03   0.04     0.29   0.04   0.07
    31   1    -0.16   0.10  -0.14    -0.04  -0.09   0.06    -0.09  -0.04  -0.14
    32   1    -0.09   0.03  -0.12     0.02  -0.03   0.08    -0.04  -0.06  -0.13
    33   1    -0.14   0.13  -0.05    -0.02  -0.07   0.11    -0.07   0.03  -0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    165.9867               214.7491               224.2402
 Red. masses --      3.4331                 2.0330                 1.3787
 Frc consts  --      0.0557                 0.0552                 0.0408
 IR Inten    --      0.0954                 0.4666                 0.1660
 RamAct Fr= 1--      0.5272                 0.1330                 0.7258
  Dep-P Fr= 1--      0.5904                 0.7216                 0.1582
  Dep-U Fr= 1--      0.7425                 0.8383                 0.2731
 Alpha2 Fr= 1--      0.0016                 0.0001                 0.0110
 Beta2  Fr= 1--      0.0652                 0.0186                 0.0330
 AlphaG Fr= 1--     -0.0024                -0.0012                 0.0046
 Gamma2 Fr= 1--      0.2507                -0.0138                -0.0643
 Delta2 Fr= 1--      0.1640                 0.0625                 0.0543
 Raman1 Fr= 1--       2.109                  0.532                  2.903
 ROA1   Fr= 1--      29.320                  0.674                 -4.438
 CID1   Fr= 1--      13.904                  1.267                 -1.529
 Raman2 Fr= 1--       0.783                  0.223                  0.396
 ROA2   Fr= 1--       4.706                 -0.831                 -1.978
 CID2   Fr= 1--       6.011                 -3.728                 -4.988
 Raman3 Fr= 1--       1.566                  0.446                  0.793
 ROA3   Fr= 1--      29.320                  0.674                 -4.438
 CID3   Fr= 1--      18.727                  1.511                 -5.597
 RC180  Fr= 1--       0.485                  0.677                 -0.454
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.05  -0.02     0.07  -0.02  -0.02     0.03  -0.05  -0.02
     2   6    -0.06  -0.03  -0.03     0.03   0.01   0.01     0.00  -0.04  -0.01
     3   6    -0.04   0.13  -0.05     0.07  -0.01  -0.07     0.02  -0.01  -0.03
     4   6    -0.06   0.12  -0.08     0.04   0.01  -0.08     0.01   0.02  -0.01
     5   6    -0.11   0.11  -0.06     0.03  -0.03  -0.09    -0.00  -0.03  -0.03
     6   6    -0.11   0.03  -0.04     0.01  -0.03  -0.04     0.00  -0.06  -0.03
     7   6    -0.06  -0.13   0.04     0.01   0.02   0.09    -0.02   0.01   0.02
     8   6    -0.01  -0.06   0.02    -0.01   0.03   0.04    -0.03   0.02   0.01
     9   6    -0.05   0.04   0.04     0.01  -0.02  -0.04    -0.02   0.01  -0.03
    10   6     0.11  -0.09  -0.03    -0.05   0.04   0.02    -0.05   0.03   0.03
    11   6    -0.03  -0.01  -0.05     0.01   0.03   0.00     0.01   0.03  -0.00
    12   6     0.02  -0.01  -0.01    -0.01   0.02   0.01    -0.00   0.02   0.00
    13   8     0.09  -0.01   0.02    -0.03  -0.04  -0.04     0.01  -0.00  -0.01
    14   8     0.06  -0.00   0.04    -0.08   0.01   0.05    -0.02   0.02   0.04
    15   1     0.02   0.04   0.01     0.09  -0.02  -0.01     0.05  -0.06  -0.02
    16   1    -0.01   0.16  -0.05     0.11  -0.01  -0.09     0.03  -0.01  -0.03
    17   1    -0.15   0.13  -0.08     0.01  -0.05  -0.12    -0.01  -0.03  -0.05
    18   1    -0.14  -0.00  -0.04    -0.02  -0.06  -0.04    -0.00  -0.08  -0.03
    19   1    -0.01  -0.12   0.16     0.02   0.02   0.15    -0.05   0.01   0.02
    20   1    -0.12  -0.24   0.03    -0.03  -0.05   0.08    -0.02   0.01   0.02
    21   1    -0.02  -0.05   0.02    -0.06   0.06   0.06    -0.04   0.02   0.01
    22   1    -0.13   0.05   0.03     0.01   0.00   0.06    -0.09   0.07   0.19
    23   1    -0.07   0.09   0.05     0.11  -0.14  -0.08     0.10  -0.22  -0.09
    24   1     0.01   0.09   0.08    -0.06   0.03  -0.17    -0.05   0.18  -0.24
    25   1     0.09  -0.02  -0.12    -0.13   0.02  -0.06     0.10   0.01   0.23
    26   1     0.22  -0.12  -0.05     0.04   0.00  -0.00    -0.30   0.09   0.09
    27   1     0.10  -0.15   0.06    -0.08   0.08   0.11     0.01  -0.00  -0.19
    28   1    -0.12  -0.12  -0.09    -0.04  -0.02  -0.02     0.00   0.01  -0.01
    29   6     0.17  -0.07   0.13    -0.03   0.01   0.13     0.07   0.02   0.05
    30   1     0.13   0.01   0.08    -0.14  -0.06   0.03    -0.03  -0.01   0.04
    31   1     0.19  -0.07   0.14    -0.35   0.02  -0.14     0.37  -0.07   0.34
    32   1     0.30   0.06   0.19     0.39   0.05   0.06    -0.28   0.11   0.18
    33   1     0.18  -0.27   0.20    -0.15  -0.04   0.59     0.19  -0.00  -0.33
                     10                     11                     12
                      A                      A                      A
 Frequencies --    227.9483               235.8238               254.6764
 Red. masses --      1.1418                 1.8868                 1.3197
 Frc consts  --      0.0350                 0.0618                 0.0504
 IR Inten    --      0.5015                 0.2543                 0.3908
 RamAct Fr= 1--      0.1183                 1.6806                 0.4209
  Dep-P Fr= 1--      0.4690                 0.1872                 0.7388
  Dep-U Fr= 1--      0.6386                 0.3153                 0.8498
 Alpha2 Fr= 1--      0.0007                 0.0236                 0.0001
 Beta2  Fr= 1--      0.0126                 0.0883                 0.0596
 AlphaG Fr= 1--      0.0034                 0.0054                 0.0023
 Gamma2 Fr= 1--     -0.0668                -0.3107                 0.2191
 Delta2 Fr= 1--     -0.0346                -0.2347                 0.2961
 Raman1 Fr= 1--       0.473                  6.722                  1.684
 ROA1   Fr= 1--      -7.522                -37.342                 30.513
 CID1   Fr= 1--     -15.901                 -5.555                 18.122
 Raman2 Fr= 1--       0.151                  1.060                  0.715
 ROA2   Fr= 1--      -1.327                 -5.580                  2.890
 CID2   Fr= 1--      -8.784                 -5.265                  4.040
 Raman3 Fr= 1--       0.302                  2.120                  1.431
 ROA3   Fr= 1--      -7.522                -37.342                 30.513
 CID3   Fr= 1--     -24.901                -17.618                 21.326
 RC180  Fr= 1--       0.277                 -0.369                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.01     0.02  -0.07  -0.02    -0.02  -0.02  -0.03
     2   6    -0.01  -0.02   0.00    -0.01  -0.06  -0.01    -0.01  -0.01  -0.03
     3   6    -0.02   0.01   0.02     0.01  -0.03   0.00    -0.03  -0.02  -0.00
     4   6    -0.01   0.00   0.02     0.01   0.02   0.04    -0.01   0.00   0.02
     5   6    -0.01   0.01   0.03     0.01  -0.05   0.01     0.01  -0.02   0.00
     6   6    -0.01   0.00   0.02     0.02  -0.09  -0.01     0.01  -0.02  -0.02
     7   6    -0.00  -0.01  -0.03    -0.03   0.00  -0.02    -0.02   0.02  -0.01
     8   6     0.00  -0.01  -0.01    -0.04   0.02  -0.02    -0.01   0.01   0.02
     9   6    -0.00   0.01  -0.02    -0.06   0.05   0.01     0.00  -0.02   0.02
    10   6     0.01  -0.01   0.02    -0.09   0.02  -0.01     0.00   0.02   0.02
    11   6    -0.00  -0.01   0.01     0.02   0.04   0.03    -0.01  -0.00   0.03
    12   6     0.00  -0.00   0.00    -0.00   0.02   0.02    -0.01  -0.00   0.03
    13   8    -0.00   0.02   0.02    -0.02   0.04   0.02    -0.03   0.04   0.05
    14   8     0.02  -0.00  -0.03    -0.00   0.02  -0.01     0.02   0.00  -0.02
    15   1    -0.02  -0.00   0.01     0.04  -0.09  -0.02    -0.03  -0.03  -0.04
    16   1    -0.03   0.01   0.03     0.00  -0.03   0.01    -0.04  -0.02   0.00
    17   1    -0.02   0.02   0.03     0.00  -0.05  -0.00     0.02  -0.03   0.01
    18   1    -0.00   0.00   0.02     0.04  -0.11  -0.03     0.03  -0.02  -0.03
    19   1    -0.02  -0.01  -0.06    -0.07   0.01  -0.03    -0.03   0.02  -0.04
    20   1     0.01   0.02  -0.02    -0.01   0.02  -0.02    -0.04   0.06  -0.00
    21   1     0.01  -0.03  -0.02    -0.03   0.01  -0.02    -0.01   0.02   0.02
    22   1    -0.09   0.08   0.25    -0.00  -0.04  -0.37    -0.04   0.05   0.33
    23   1     0.10  -0.26  -0.08    -0.22   0.45   0.10     0.10  -0.35  -0.05
    24   1    -0.01   0.21  -0.23     0.00  -0.19   0.33    -0.03   0.17  -0.22
    25   1     0.25  -0.00   0.29    -0.09  -0.00   0.02    -0.28  -0.00  -0.29
    26   1    -0.32   0.08   0.10    -0.14   0.03  -0.00     0.42  -0.05  -0.07
    27   1     0.11  -0.09  -0.29    -0.09   0.06  -0.05    -0.11   0.09   0.42
    28   1    -0.00   0.00   0.01     0.02   0.05   0.04    -0.01   0.02   0.04
    29   6     0.03  -0.00  -0.04     0.16   0.03  -0.03     0.08   0.00  -0.06
    30   1     0.04   0.03  -0.03    -0.02   0.03  -0.02     0.02   0.04  -0.02
    31   1    -0.17   0.12  -0.28     0.10   0.19  -0.16     0.12   0.11  -0.08
    32   1     0.36  -0.08  -0.16     0.40  -0.01  -0.11     0.12  -0.05  -0.10
    33   1    -0.04  -0.06   0.25     0.15  -0.10   0.11     0.10  -0.06  -0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    298.0842               309.0713               358.0691
 Red. masses --      2.7521                 3.7794                 2.9075
 Frc consts  --      0.1441                 0.2127                 0.2196
 IR Inten    --      0.3940                 0.9527                 0.9103
 RamAct Fr= 1--      1.5634                 1.3186                 1.7375
  Dep-P Fr= 1--      0.1138                 0.7453                 0.7455
  Dep-U Fr= 1--      0.2044                 0.8540                 0.8542
 Alpha2 Fr= 1--      0.0265                 0.0001                 0.0001
 Beta2  Fr= 1--      0.0533                 0.1877                 0.2474
 AlphaG Fr= 1--     -0.0039                -0.0004                 0.0008
 Gamma2 Fr= 1--     -0.1566                -0.8424                 0.6866
 Delta2 Fr= 1--      0.0883                -0.8173                 0.1413
 Raman1 Fr= 1--       6.254                  5.274                  6.950
 ROA1   Fr= 1--     -12.206               -107.021                 70.433
 CID1   Fr= 1--      -1.952                -20.291                 10.134
 Raman2 Fr= 1--       0.639                  2.252                  2.968
 ROA2   Fr= 1--      -4.464                -13.678                 15.348
 CID2   Fr= 1--      -6.984                 -6.073                  5.171
 Raman3 Fr= 1--       1.278                  4.504                  5.937
 ROA3   Fr= 1--     -12.206               -107.021                 70.433
 CID3   Fr= 1--      -9.549                -23.759                 11.864
 RC180  Fr= 1--      -0.591                  0.708                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00    -0.05  -0.09   0.07    -0.05   0.04   0.04
     2   6     0.00  -0.01   0.00    -0.02  -0.14   0.03    -0.06   0.11   0.08
     3   6    -0.02   0.02  -0.03    -0.06   0.02   0.09     0.00  -0.12  -0.04
     4   6    -0.07   0.02  -0.05    -0.08   0.03   0.06     0.01  -0.09  -0.03
     5   6    -0.06   0.02  -0.06    -0.10   0.01   0.07     0.00  -0.10  -0.03
     6   6    -0.05  -0.01  -0.04    -0.06  -0.10   0.05    -0.04   0.03   0.04
     7   6     0.03   0.00   0.11     0.00   0.06  -0.11    -0.03   0.11  -0.01
     8   6     0.08   0.09   0.05     0.08   0.08  -0.06    -0.06   0.00   0.02
     9   6     0.18  -0.10  -0.08     0.12  -0.07  -0.01    -0.02  -0.11  -0.00
    10   6     0.02   0.09   0.01    -0.02   0.12   0.03     0.17  -0.04  -0.05
    11   6    -0.08  -0.04   0.00    -0.03   0.03  -0.09    -0.01   0.02  -0.02
    12   6    -0.05  -0.03   0.05     0.01   0.04  -0.12    -0.01   0.06  -0.02
    13   8    -0.06   0.06   0.11     0.15  -0.06  -0.13     0.01   0.03  -0.03
    14   8     0.02  -0.02  -0.01    -0.00   0.05   0.03    -0.07   0.07   0.07
    15   1    -0.01  -0.01  -0.00    -0.04  -0.09   0.08    -0.06   0.06   0.05
    16   1     0.02   0.04  -0.04    -0.05   0.06   0.10     0.02  -0.19  -0.08
    17   1    -0.06   0.02  -0.06    -0.13   0.06   0.08     0.02  -0.15  -0.06
    18   1    -0.10  -0.03  -0.03    -0.09  -0.13   0.05    -0.04   0.05   0.05
    19   1     0.00   0.04   0.26    -0.18   0.07  -0.28    -0.01   0.07  -0.21
    20   1    -0.04  -0.13   0.10     0.11   0.24  -0.10     0.03   0.29   0.00
    21   1     0.05   0.13   0.06     0.14   0.05  -0.07    -0.06  -0.00   0.02
    22   1     0.40  -0.19  -0.30     0.28  -0.09   0.01     0.13  -0.15  -0.05
    23   1     0.23   0.04  -0.07     0.08  -0.13  -0.01    -0.04  -0.11   0.00
    24   1    -0.00  -0.38  -0.02     0.05  -0.16  -0.01    -0.11  -0.24   0.03
    25   1     0.10   0.08   0.13    -0.16   0.01  -0.03     0.36   0.17  -0.05
    26   1    -0.15   0.10   0.05     0.12   0.17   0.02     0.17  -0.07  -0.06
    27   1     0.05   0.11  -0.14    -0.08   0.20   0.20     0.26  -0.28  -0.14
    28   1    -0.15  -0.04   0.02     0.05  -0.03  -0.15     0.02   0.01  -0.04
    29   6     0.03  -0.06  -0.07     0.00   0.00   0.07     0.10   0.00  -0.00
    30   1     0.09   0.07  -0.00     0.10  -0.02   0.13    -0.07  -0.03   0.11
    31   1     0.11   0.03  -0.04    -0.06  -0.06   0.05     0.16   0.07   0.02
    32   1     0.02  -0.09  -0.09     0.12   0.13   0.12     0.17   0.04   0.01
    33   1     0.07  -0.12  -0.16    -0.02  -0.08   0.21     0.13  -0.14  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    383.3109               409.5839               418.8151
 Red. masses --      2.9200                 2.9284                 2.9718
 Frc consts  --      0.2528                 0.2894                 0.3071
 IR Inten    --      0.4850                 2.4397                 0.0037
 RamAct Fr= 1--      1.0369                 3.9067                 0.0184
  Dep-P Fr= 1--      0.1100                 0.1273                 0.1186
  Dep-U Fr= 1--      0.1982                 0.2259                 0.2121
 Alpha2 Fr= 1--      0.0177                 0.0639                 0.0003
 Beta2  Fr= 1--      0.0342                 0.1471                 0.0006
 AlphaG Fr= 1--      0.0154                 0.0227                 0.0100
 Gamma2 Fr= 1--      0.1088                 0.7559                -0.0150
 Delta2 Fr= 1--     -0.0774                 0.2171                 0.0139
 Raman1 Fr= 1--       4.148                 15.627                  0.073
 ROA1   Fr= 1--       7.967                 79.516                 -0.992
 CID1   Fr= 1--       1.921                  5.088                -13.509
 Raman2 Fr= 1--       0.411                  1.765                  0.008
 ROA2   Fr= 1--       3.231                 16.406                 -0.470
 CID2   Fr= 1--       7.862                  9.296                -60.429
 Raman3 Fr= 1--       0.822                  3.530                  0.016
 ROA3   Fr= 1--       7.967                 79.516                 -0.992
 CID3   Fr= 1--       9.694                 22.527                -63.702
 RC180  Fr= 1--      -0.604                 -0.548                 -0.576
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.00   0.14    -0.04   0.03   0.03     0.06  -0.18  -0.09
     2   6     0.02  -0.05   0.14     0.03   0.05   0.01    -0.00  -0.01   0.01
     3   6     0.12   0.03  -0.06    -0.03  -0.06   0.02    -0.05   0.18   0.10
     4   6     0.02   0.03  -0.13    -0.03  -0.10  -0.02     0.00  -0.00  -0.01
     5   6    -0.05   0.03  -0.10     0.01  -0.05  -0.01     0.05  -0.18  -0.11
     6   6    -0.07  -0.04   0.08    -0.00   0.07   0.01    -0.07   0.17   0.11
     7   6     0.06   0.05  -0.12     0.08  -0.04   0.00    -0.00   0.00  -0.01
     8   6     0.03  -0.03  -0.09     0.12  -0.08   0.05    -0.00   0.00  -0.02
     9   6    -0.01   0.04   0.03     0.10   0.13  -0.01    -0.01  -0.01   0.00
    10   6    -0.02  -0.01  -0.01    -0.11  -0.08  -0.01     0.01   0.01  -0.00
    11   6    -0.03  -0.02  -0.01    -0.06  -0.04  -0.06     0.00   0.00  -0.00
    12   6    -0.02  -0.03   0.06    -0.05   0.06  -0.05     0.00  -0.00   0.01
    13   8    -0.08   0.04   0.09     0.03   0.05  -0.02    -0.00   0.00   0.00
    14   8     0.00  -0.04   0.00    -0.08   0.09   0.10     0.00  -0.00  -0.00
    15   1     0.16   0.03   0.24    -0.09   0.05  -0.01     0.14  -0.38  -0.19
    16   1     0.25   0.08  -0.10    -0.03  -0.05   0.02    -0.11   0.38   0.21
    17   1    -0.15   0.06  -0.16     0.06  -0.07   0.01     0.11  -0.38  -0.22
    18   1    -0.20  -0.09   0.12    -0.02   0.11   0.03    -0.14   0.37   0.22
    19   1    -0.06   0.02  -0.44     0.14  -0.06  -0.01    -0.00   0.00  -0.02
    20   1     0.29   0.34  -0.12     0.04  -0.03   0.01     0.02   0.01  -0.01
    21   1     0.08  -0.08  -0.10     0.14  -0.08   0.05     0.00  -0.00  -0.02
    22   1    -0.08   0.07   0.10    -0.17   0.16  -0.05     0.01  -0.01   0.02
    23   1    -0.10   0.01   0.05     0.24   0.22  -0.03    -0.03  -0.02   0.01
    24   1     0.10   0.13   0.07     0.19   0.29  -0.08    -0.00  -0.02   0.02
    25   1    -0.09  -0.09  -0.02    -0.27  -0.21  -0.06     0.02   0.01   0.01
    26   1     0.03   0.03  -0.01    -0.20  -0.22  -0.02     0.02   0.03   0.00
    27   1    -0.05   0.04   0.07    -0.20   0.21  -0.05     0.02  -0.01   0.01
    28   1    -0.14  -0.02   0.02    -0.00  -0.07  -0.10    -0.01   0.00   0.00
    29   6    -0.01  -0.03  -0.02     0.04  -0.08  -0.04     0.00   0.00   0.01
    30   1    -0.01  -0.00  -0.03     0.04  -0.03   0.22    -0.00   0.00  -0.01
    31   1     0.02  -0.04   0.01     0.10   0.00  -0.03     0.01  -0.00   0.01
    32   1    -0.05  -0.03  -0.01     0.12  -0.05  -0.04    -0.00   0.01   0.01
    33   1    -0.00  -0.03  -0.06     0.07  -0.22  -0.05     0.00   0.00   0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --    424.3553               477.7641               510.6508
 Red. masses --      2.0275                 3.8699                 3.0260
 Frc consts  --      0.2151                 0.5204                 0.4649
 IR Inten    --      0.8962                12.1763                 1.5201
 RamAct Fr= 1--      0.4268                 0.8069                 0.5015
  Dep-P Fr= 1--      0.2859                 0.2037                 0.5979
  Dep-U Fr= 1--      0.4447                 0.3385                 0.7483
 Alpha2 Fr= 1--      0.0046                 0.0108                 0.0014
 Beta2  Fr= 1--      0.0316                 0.0455                 0.0625
 AlphaG Fr= 1--      0.0034                -0.0124                -0.0067
 Gamma2 Fr= 1--      0.0880                 0.4073                 0.1041
 Delta2 Fr= 1--     -0.1352                 0.2179                 0.1164
 Raman1 Fr= 1--       1.707                  3.227                  2.006
 ROA1   Fr= 1--       4.121                 46.070                 13.714
 CID1   Fr= 1--       2.414                 14.275                  6.836
 Raman2 Fr= 1--       0.380                  0.546                  0.751
 ROA2   Fr= 1--       3.194                  8.031                  1.566
 CID2   Fr= 1--       8.414                 14.702                  2.087
 Raman3 Fr= 1--       0.759                  1.092                  1.501
 ROA3   Fr= 1--       4.121                 46.070                 13.714
 CID3   Fr= 1--       5.428                 42.171                  9.136
 RC180  Fr= 1--      -0.111                 -0.323                  0.497
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.05  -0.02    -0.11   0.08   0.02    -0.00  -0.04   0.02
     2   6     0.00  -0.02  -0.00    -0.12   0.02   0.01     0.03   0.17   0.10
     3   6    -0.01   0.04   0.01    -0.04  -0.07  -0.07    -0.01  -0.09   0.02
     4   6    -0.02   0.07   0.02     0.04  -0.09  -0.05    -0.13   0.11   0.07
     5   6    -0.01   0.02   0.00    -0.06  -0.10  -0.02     0.01  -0.05  -0.05
     6   6     0.01  -0.04  -0.02    -0.12   0.05   0.06     0.02  -0.00  -0.04
     7   6    -0.02   0.12   0.02    -0.05  -0.07  -0.05     0.10   0.02   0.02
     8   6     0.00  -0.03   0.19     0.10  -0.02  -0.00     0.01  -0.03  -0.07
     9   6     0.03   0.03  -0.03     0.14   0.04  -0.01    -0.02   0.01   0.01
    10   6    -0.01  -0.10  -0.06    -0.03  -0.01   0.00     0.00  -0.02   0.00
    11   6    -0.01   0.02   0.01     0.08   0.12   0.08    -0.13   0.08  -0.03
    12   6     0.00  -0.03   0.00     0.11  -0.01   0.09    -0.10  -0.05  -0.02
    13   8     0.01  -0.03   0.01    -0.02  -0.08  -0.01     0.03  -0.08   0.02
    14   8     0.04  -0.03  -0.04     0.07  -0.06  -0.09     0.06  -0.04  -0.09
    15   1     0.02  -0.08  -0.03    -0.11   0.14   0.08    -0.00  -0.23  -0.14
    16   1    -0.01   0.05   0.01    -0.10  -0.10  -0.06     0.10  -0.27  -0.11
    17   1    -0.01   0.02  -0.01    -0.11  -0.09  -0.06     0.13  -0.25  -0.10
    18   1     0.01  -0.06  -0.03    -0.12   0.12   0.09     0.04  -0.22  -0.14
    19   1    -0.06   0.06  -0.34    -0.05  -0.06   0.01     0.23   0.01   0.11
    20   1    -0.05   0.50   0.09    -0.08  -0.10  -0.05     0.16  -0.11  -0.01
    21   1    -0.03  -0.03   0.20     0.17  -0.04  -0.02     0.00  -0.03  -0.07
    22   1    -0.08   0.02  -0.18     0.08   0.04  -0.04    -0.06   0.03   0.07
    23   1     0.27   0.15  -0.08     0.21   0.06  -0.03    -0.12   0.00   0.04
    24   1    -0.06   0.02  -0.14     0.12   0.06  -0.05     0.09   0.08   0.07
    25   1     0.02   0.08  -0.21    -0.14  -0.14   0.01    -0.00  -0.08   0.05
    26   1    -0.06  -0.41  -0.12    -0.09  -0.04   0.01     0.00   0.06   0.02
    27   1     0.01  -0.04  -0.22    -0.09   0.16   0.00    -0.00  -0.02   0.03
    28   1    -0.02   0.02   0.02     0.02   0.20   0.15    -0.13   0.10  -0.01
    29   6    -0.02   0.03   0.02     0.06   0.20   0.08    -0.00   0.09   0.04
    30   1     0.05   0.04  -0.06    -0.26   0.02  -0.35     0.40   0.26   0.04
    31   1    -0.04  -0.00   0.01     0.07   0.17   0.10     0.03   0.07   0.08
    32   1    -0.04   0.03   0.02     0.03   0.23   0.10     0.06   0.19   0.09
    33   1    -0.03   0.06   0.03     0.06   0.20   0.07     0.01  -0.05   0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --    591.7572               617.7631               641.9024
 Red. masses --      2.0213                 1.7875                 3.3510
 Frc consts  --      0.4170                 0.4019                 0.8135
 IR Inten    --     49.2852                62.5229                20.9174
 RamAct Fr= 1--      1.3036                 1.0529                 3.2086
  Dep-P Fr= 1--      0.2202                 0.7498                 0.6668
  Dep-U Fr= 1--      0.3609                 0.8570                 0.8001
 Alpha2 Fr= 1--      0.0168                 0.0000                 0.0047
 Beta2  Fr= 1--      0.0784                 0.1504                 0.4279
 AlphaG Fr= 1--     -0.0054                 0.0006                -0.0283
 Gamma2 Fr= 1--     -0.3643                -1.0667                -0.0727
 Delta2 Fr= 1--     -0.0564                -0.4356                 0.1523
 Raman1 Fr= 1--       5.215                  4.212                 12.834
 ROA1   Fr= 1--     -36.775               -116.343                 -2.104
 CID1   Fr= 1--      -7.052                -27.624                 -0.164
 Raman2 Fr= 1--       0.941                  1.805                  5.134
 ROA2   Fr= 1--      -8.292                -22.117                 -2.963
 CID2   Fr= 1--      -8.813                -12.255                 -0.577
 Raman3 Fr= 1--       1.882                  3.609                 10.269
 ROA3   Fr= 1--     -36.775               -116.343                 -2.104
 CID3   Fr= 1--     -19.542                -32.234                 -0.205
 RC180  Fr= 1--      -0.278                  0.714                  0.600
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.02     0.01   0.04  -0.03    -0.09  -0.03   0.05
     2   6     0.08  -0.11  -0.07    -0.09   0.03   0.01    -0.01  -0.05   0.04
     3   6     0.02  -0.02   0.04     0.04   0.02  -0.04    -0.06   0.03  -0.13
     4   6     0.02  -0.14  -0.06     0.06   0.06   0.04     0.02   0.03  -0.05
     5   6     0.02   0.00   0.01     0.00  -0.04   0.03     0.11   0.06  -0.07
     6   6     0.02   0.05  -0.01    -0.02  -0.01   0.04     0.08  -0.01   0.11
     7   6     0.01   0.00   0.01    -0.08  -0.03  -0.04    -0.02  -0.02   0.00
     8   6    -0.03   0.01   0.02     0.02  -0.00   0.00    -0.00   0.00   0.01
     9   6    -0.04  -0.01  -0.00     0.05   0.01   0.00     0.01   0.00   0.00
    10   6    -0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6    -0.06   0.06  -0.06     0.09  -0.01  -0.01    -0.03  -0.04   0.18
    12   6    -0.08  -0.04  -0.01    -0.03  -0.04  -0.05    -0.02   0.08   0.08
    13   8    -0.02  -0.02   0.04    -0.03   0.06   0.01     0.05  -0.15  -0.06
    14   8    -0.01  -0.03  -0.04    -0.06  -0.06   0.01    -0.06   0.14  -0.09
    15   1    -0.10   0.29   0.14     0.11  -0.06  -0.04    -0.02  -0.00   0.13
    16   1    -0.05   0.22   0.17     0.02  -0.12  -0.10    -0.02   0.08  -0.13
    17   1    -0.01   0.22   0.17    -0.02  -0.15  -0.07     0.04   0.07  -0.13
    18   1    -0.05   0.29   0.13     0.07  -0.08  -0.02     0.01  -0.01   0.14
    19   1    -0.03   0.01  -0.03    -0.09  -0.03  -0.02    -0.04  -0.01   0.02
    20   1    -0.01   0.04   0.02    -0.09  -0.03  -0.04    -0.02  -0.04  -0.00
    21   1    -0.06   0.03   0.03     0.07  -0.02  -0.01     0.00   0.01   0.01
    22   1    -0.03  -0.01  -0.01     0.06  -0.00  -0.02     0.01  -0.00  -0.01
    23   1    -0.04  -0.01  -0.00     0.09   0.01  -0.01     0.02   0.00  -0.00
    24   1    -0.06  -0.02  -0.00     0.01  -0.01  -0.03    -0.01  -0.01  -0.01
    25   1     0.03   0.06  -0.02    -0.03  -0.03   0.00    -0.01   0.00  -0.00
    26   1     0.01  -0.01  -0.01    -0.01  -0.01   0.00    -0.00  -0.00   0.00
    27   1     0.01  -0.02  -0.01    -0.01   0.04  -0.00    -0.00   0.01  -0.00
    28   1    -0.04   0.12  -0.02     0.13  -0.02  -0.02    -0.07  -0.11   0.14
    29   6     0.02   0.09   0.02     0.00   0.01   0.00    -0.01  -0.06  -0.00
    30   1     0.53   0.23   0.24     0.70   0.06   0.50     0.45   0.51   0.13
    31   1     0.07   0.04   0.09    -0.09  -0.10  -0.02     0.05   0.19  -0.07
    32   1     0.10   0.25   0.11    -0.06  -0.01   0.01    -0.04  -0.32  -0.16
    33   1     0.04  -0.08   0.07    -0.04   0.14   0.05     0.02   0.00  -0.16
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.4875               715.0433               762.2759
 Red. masses --      5.2470                 3.3663                 3.6730
 Frc consts  --      1.3691                 1.0141                 1.2575
 IR Inten    --      6.5434                32.8880                 4.8961
 RamAct Fr= 1--      4.9763                 1.5887                13.0486
  Dep-P Fr= 1--      0.4939                 0.1009                 0.0430
  Dep-U Fr= 1--      0.6612                 0.1834                 0.0825
 Alpha2 Fr= 1--      0.0253                 0.0278                 0.2620
 Beta2  Fr= 1--      0.5484                 0.0485                 0.1795
 AlphaG Fr= 1--     -0.0163                 0.0440                -0.0095
 Gamma2 Fr= 1--      0.1102                 0.8793                 0.0706
 Delta2 Fr= 1--     -0.3871                 0.2774                -0.1514
 Raman1 Fr= 1--      19.905                  6.355                 52.194
 ROA1   Fr= 1--      -1.808                 93.287                  1.936
 CID1   Fr= 1--      -0.091                 14.680                  0.037
 Raman2 Fr= 1--       6.581                  0.583                  2.154
 ROA2   Fr= 1--       5.742                 18.883                  2.907
 CID2   Fr= 1--       0.872                 32.414                  1.350
 Raman3 Fr= 1--      13.162                  1.165                  4.308
 ROA3   Fr= 1--      -1.808                 93.287                  1.936
 CID3   Fr= 1--      -0.137                 80.064                  0.449
 RC180  Fr= 1--       0.322                 -0.633                 -0.835
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.24   0.14  -0.09    -0.05  -0.10  -0.01    -0.06   0.07   0.10
     2   6    -0.01   0.03  -0.07     0.04   0.07   0.04     0.12  -0.18  -0.09
     3   6     0.21  -0.03   0.15    -0.10   0.02   0.05     0.00  -0.13  -0.01
     4   6     0.01  -0.03   0.07    -0.02  -0.09  -0.06    -0.11   0.18   0.10
     5   6    -0.21  -0.12   0.07    -0.12   0.06  -0.02     0.01  -0.07  -0.12
     6   6    -0.19   0.04  -0.16    -0.07  -0.05  -0.12    -0.06   0.15  -0.03
     7   6    -0.02   0.00  -0.03     0.14   0.09   0.08     0.08  -0.05   0.00
     8   6     0.00  -0.00  -0.01     0.01  -0.01  -0.04    -0.00   0.01   0.06
     9   6     0.01  -0.00  -0.00    -0.02  -0.00  -0.01    -0.08  -0.02  -0.00
    10   6     0.00   0.01  -0.00    -0.00  -0.03  -0.00     0.01   0.07  -0.00
    11   6    -0.02  -0.04   0.13     0.11  -0.03   0.09     0.03  -0.02   0.08
    12   6    -0.02   0.07   0.09     0.20   0.04   0.04     0.07   0.00  -0.04
    13   8     0.03  -0.14  -0.02    -0.04   0.04  -0.07     0.01   0.06  -0.05
    14   8    -0.03   0.13  -0.07    -0.08  -0.06  -0.01    -0.01  -0.06   0.01
    15   1     0.20   0.15  -0.11    -0.15  -0.09  -0.09    -0.18   0.23   0.13
    16   1     0.13  -0.06   0.17    -0.14   0.16   0.13     0.11  -0.31  -0.13
    17   1    -0.16  -0.14   0.10    -0.15   0.19   0.05     0.14  -0.30  -0.20
    18   1    -0.11   0.08  -0.18    -0.17  -0.10  -0.10    -0.19   0.24   0.06
    19   1    -0.05  -0.01  -0.14     0.21   0.07   0.07    -0.01  -0.06  -0.16
    20   1     0.00   0.11  -0.02     0.20   0.05   0.06     0.08   0.11   0.03
    21   1     0.02  -0.01  -0.01    -0.07   0.01  -0.02    -0.05   0.04   0.07
    22   1     0.02  -0.00  -0.00    -0.07   0.02   0.05    -0.10  -0.02  -0.03
    23   1     0.00  -0.00  -0.00    -0.14   0.00   0.02    -0.03  -0.00  -0.01
    24   1     0.00  -0.00   0.00     0.10   0.06   0.07    -0.11  -0.03  -0.03
    25   1    -0.00  -0.01   0.00     0.01  -0.04   0.03     0.02   0.12  -0.04
    26   1    -0.00   0.01  -0.00     0.01   0.02   0.01     0.00   0.01  -0.01
    27   1    -0.00   0.01   0.00     0.00  -0.06   0.02     0.01   0.08  -0.03
    28   1    -0.04  -0.09   0.10     0.05  -0.03   0.10     0.01  -0.09   0.05
    29   6    -0.01  -0.09  -0.00     0.03   0.03   0.02     0.01   0.01   0.02
    30   1     0.15   0.43  -0.05     0.45  -0.06   0.36     0.07  -0.20   0.12
    31   1     0.03   0.11  -0.06    -0.01   0.08  -0.03    -0.04   0.09  -0.06
    32   1    -0.03  -0.30  -0.13    -0.04  -0.11  -0.06    -0.08  -0.18  -0.08
    33   1     0.01  -0.05  -0.12     0.01   0.19  -0.03    -0.01   0.20  -0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --    798.2735               826.7717               840.8051
 Red. masses --      2.4206                 3.1942                 2.8009
 Frc consts  --      0.9088                 1.2864                 1.1667
 IR Inten    --     16.7094                 9.2373                 0.9870
 RamAct Fr= 1--      8.4832                 6.9157                19.3242
  Dep-P Fr= 1--      0.0574                 0.2094                 0.0345
  Dep-U Fr= 1--      0.1085                 0.3462                 0.0666
 Alpha2 Fr= 1--      0.1646                 0.0916                 0.3960
 Beta2  Fr= 1--      0.1535                 0.3991                 0.2146
 AlphaG Fr= 1--     -0.0120                -0.0741                 0.0055
 Gamma2 Fr= 1--     -0.9404                 1.6865                 1.5266
 Delta2 Fr= 1--     -0.8627                 1.0225                 0.1601
 Raman1 Fr= 1--      33.933                 27.663                 77.297
 ROA1   Fr= 1--    -117.881                194.625                151.674
 CID1   Fr= 1--      -3.474                  7.036                  1.962
 Raman2 Fr= 1--       1.842                  4.789                  2.576
 ROA2   Fr= 1--     -15.667                 32.296                 35.357
 CID2   Fr= 1--      -8.508                  6.744                 13.727
 Raman3 Fr= 1--       3.683                  9.578                  5.151
 ROA3   Fr= 1--    -117.881                194.625                151.674
 CID3   Fr= 1--     -32.007                 20.320                 29.444
 RC180  Fr= 1--      -0.783                 -0.308                 -0.867
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.06     0.03  -0.00   0.03     0.06  -0.04   0.03
     2   6     0.01   0.02   0.01     0.00  -0.05  -0.04    -0.03   0.08   0.05
     3   6     0.00   0.03   0.10     0.05  -0.04   0.04     0.06  -0.03   0.06
     4   6    -0.02  -0.07  -0.04    -0.06   0.08   0.04    -0.03  -0.05  -0.03
     5   6     0.02   0.07   0.01     0.05  -0.01  -0.01     0.04   0.06  -0.05
     6   6     0.03   0.05  -0.01     0.04   0.02   0.01     0.03   0.02  -0.05
     7   6    -0.03  -0.12  -0.09    -0.13   0.11   0.02    -0.12  -0.05  -0.07
     8   6    -0.00  -0.00   0.09    -0.03   0.05  -0.10    -0.01   0.00   0.01
     9   6    -0.05  -0.01   0.02     0.12   0.05  -0.01     0.03   0.01   0.02
    10   6     0.02   0.10   0.00    -0.04  -0.17   0.01     0.00   0.00   0.00
    11   6    -0.05   0.02  -0.08    -0.10   0.04  -0.06    -0.12  -0.03   0.16
    12   6     0.16   0.04   0.11     0.20   0.05   0.09    -0.02  -0.01  -0.12
    13   8    -0.05  -0.01  -0.02    -0.04   0.01  -0.05     0.05   0.07  -0.07
    14   8    -0.04  -0.01  -0.03    -0.04  -0.04  -0.02     0.03  -0.09   0.02
    15   1     0.10  -0.38  -0.19    -0.02   0.16   0.13     0.05   0.02   0.08
    16   1     0.16  -0.25  -0.09     0.11  -0.04   0.02     0.08   0.27   0.18
    17   1     0.17  -0.17  -0.06     0.11  -0.03   0.03     0.07   0.13   0.03
    18   1     0.14  -0.29  -0.20     0.02   0.20   0.10     0.02  -0.07  -0.08
    19   1    -0.03  -0.14  -0.16    -0.22   0.18   0.25    -0.11  -0.04  -0.02
    20   1    -0.05  -0.02  -0.07    -0.20  -0.10  -0.00    -0.13  -0.08  -0.07
    21   1     0.09  -0.03   0.06    -0.06   0.03  -0.09     0.09  -0.03  -0.02
    22   1    -0.05  -0.04  -0.10     0.24   0.05   0.10     0.08  -0.01  -0.04
    23   1     0.15   0.01  -0.03    -0.05  -0.03   0.02     0.15   0.00  -0.01
    24   1    -0.22  -0.08  -0.11     0.19   0.03   0.09    -0.09  -0.05  -0.06
    25   1     0.00   0.16  -0.07     0.01  -0.19   0.08    -0.01   0.01  -0.01
    26   1    -0.01  -0.02  -0.02     0.03  -0.03   0.03    -0.00  -0.01  -0.00
    27   1     0.01   0.17  -0.07    -0.01  -0.31   0.10    -0.00   0.01  -0.00
    28   1    -0.12   0.13   0.01    -0.22   0.14   0.04    -0.13  -0.16   0.08
    29   6    -0.01  -0.02  -0.03    -0.04  -0.06  -0.03    -0.02   0.08   0.07
    30   1     0.12   0.06   0.06     0.11  -0.05   0.08    -0.00  -0.33   0.09
    31   1     0.06  -0.06   0.06     0.07  -0.04   0.05     0.12   0.55  -0.02
    32   1     0.07   0.16   0.07     0.07   0.10   0.05     0.04  -0.24  -0.14
    33   1     0.01  -0.22   0.02     0.00  -0.30  -0.01     0.06   0.01  -0.17
                     31                     32                     33
                      A                      A                      A
 Frequencies --    852.4731               856.4455               874.0173
 Red. masses --      1.4927                 2.3570                 1.8588
 Frc consts  --      0.6391                 1.0186                 0.8366
 IR Inten    --      1.4285                 2.9442                15.4538
 RamAct Fr= 1--      3.0720                 9.0006                 2.0028
  Dep-P Fr= 1--      0.2262                 0.1876                 0.1030
  Dep-U Fr= 1--      0.3690                 0.3160                 0.1867
 Alpha2 Fr= 1--      0.0389                 0.1263                 0.0348
 Beta2  Fr= 1--      0.1889                 0.4740                 0.0623
 AlphaG Fr= 1--     -0.0276                -0.0440                -0.0474
 Gamma2 Fr= 1--      0.0085                 0.9642                -1.4940
 Delta2 Fr= 1--     -0.3746                 0.2936                -0.6583
 Raman1 Fr= 1--      12.288                 36.002                  8.011
 ROA1   Fr= 1--     -11.171                101.963               -164.487
 CID1   Fr= 1--      -0.909                  2.832                -20.532
 Raman2 Fr= 1--       2.267                  5.688                  0.748
 ROA2   Fr= 1--       3.201                 20.793                -30.589
 CID2   Fr= 1--       1.412                  3.655                -40.893
 Raman3 Fr= 1--       4.534                 11.377                  1.496
 ROA3   Fr= 1--     -11.171                101.963               -164.487
 CID3   Fr= 1--      -2.464                  8.962               -109.948
 RC180  Fr= 1--      -0.262                 -0.368                 -0.627
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.05  -0.08    -0.03  -0.09   0.08    -0.00  -0.08   0.03
     2   6    -0.02   0.03   0.01     0.02  -0.01  -0.00    -0.03   0.10   0.05
     3   6     0.02  -0.06  -0.08     0.02  -0.07   0.09     0.03  -0.07   0.03
     4   6    -0.00   0.03   0.02    -0.01  -0.04  -0.02    -0.03   0.08   0.04
     5   6    -0.02   0.01   0.06     0.01   0.13  -0.06     0.03  -0.04  -0.07
     6   6    -0.01   0.02   0.06    -0.03   0.11  -0.07     0.02  -0.06  -0.07
     7   6     0.03  -0.03   0.01    -0.08   0.01  -0.02    -0.04  -0.02  -0.09
     8   6     0.01  -0.02   0.01    -0.03   0.03  -0.03     0.01  -0.02   0.03
     9   6    -0.03  -0.01   0.00     0.05   0.03   0.00    -0.03  -0.01   0.02
    10   6     0.01   0.04  -0.00    -0.02  -0.06   0.01     0.01   0.05   0.01
    11   6    -0.04   0.02  -0.02     0.13  -0.02  -0.03     0.06   0.02  -0.04
    12   6     0.05   0.01   0.02    -0.08  -0.02   0.01     0.02   0.00   0.03
    13   8    -0.01   0.01  -0.01    -0.00  -0.03   0.05    -0.01  -0.02   0.02
    14   8    -0.01  -0.01  -0.01    -0.00   0.06   0.00    -0.01   0.02  -0.01
    15   1    -0.12   0.49   0.24    -0.16   0.10   0.13    -0.11   0.17   0.15
    16   1    -0.21   0.48   0.25     0.04   0.15   0.18    -0.01   0.23   0.18
    17   1     0.06  -0.31  -0.13     0.23  -0.32  -0.25    -0.09   0.41   0.19
    18   1     0.14  -0.30  -0.13     0.03  -0.39  -0.30    -0.17   0.41   0.20
    19   1     0.08  -0.05  -0.07    -0.15   0.04   0.05     0.09  -0.02   0.09
    20   1     0.05   0.04   0.01    -0.12  -0.03  -0.02    -0.05  -0.21  -0.11
    21   1     0.00  -0.00   0.02    -0.02   0.02  -0.03     0.18  -0.10  -0.02
    22   1    -0.07  -0.01  -0.02     0.14   0.02   0.03    -0.07  -0.03  -0.09
    23   1    -0.00   0.01  -0.00     0.02  -0.02   0.00     0.18   0.03  -0.02
    24   1    -0.02   0.00  -0.01     0.02  -0.02   0.01    -0.15  -0.03  -0.11
    25   1    -0.01   0.02  -0.01     0.01  -0.05   0.02     0.00   0.10  -0.06
    26   1    -0.01   0.03  -0.00     0.02  -0.02   0.01    -0.01  -0.06  -0.01
    27   1     0.00   0.10  -0.02    -0.00  -0.13   0.03     0.01   0.10  -0.05
    28   1    -0.07   0.05   0.01     0.20  -0.05  -0.07     0.05   0.04  -0.02
    29   6    -0.02  -0.03  -0.01     0.05   0.02  -0.01     0.02  -0.05  -0.03
    30   1     0.02  -0.02   0.02    -0.04   0.15  -0.06     0.01   0.08  -0.01
    31   1     0.02  -0.02   0.02    -0.11  -0.21  -0.04    -0.08  -0.24  -0.02
    32   1     0.03   0.03   0.02    -0.09   0.01   0.02    -0.05   0.02   0.04
    33   1    -0.00  -0.13   0.00    -0.03   0.28   0.08    -0.04   0.08   0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --    897.7513               935.9746               954.5925
 Red. masses --      1.5352                 1.1989                 1.5936
 Frc consts  --      0.7290                 0.6188                 0.8556
 IR Inten    --      2.4651                 1.8143                 0.5134
 RamAct Fr= 1--      2.5978                 1.1967                 4.0723
  Dep-P Fr= 1--      0.7499                 0.5547                 0.6946
  Dep-U Fr= 1--      0.8571                 0.7136                 0.8198
 Alpha2 Fr= 1--      0.0000                 0.0045                 0.0039
 Beta2  Fr= 1--      0.3711                 0.1423                 0.5564
 AlphaG Fr= 1--      0.0001                 0.0155                 0.0310
 Gamma2 Fr= 1--     -0.6654                -0.3427                -0.3038
 Delta2 Fr= 1--     -0.5177                -0.7341                 0.8139
 Raman1 Fr= 1--      10.391                  4.787                 16.289
 ROA1   Fr= 1--     -80.442                -56.393                 -3.124
 CID1   Fr= 1--      -7.741                -11.781                 -0.192
 Raman2 Fr= 1--       4.453                  1.708                  6.677
 ROA2   Fr= 1--     -11.826                 -2.353                -13.803
 CID2   Fr= 1--      -2.656                 -1.378                 -2.067
 Raman3 Fr= 1--       8.906                  3.416                 13.354
 ROA3   Fr= 1--     -80.442                -56.393                 -3.124
 CID3   Fr= 1--      -9.032                -16.509                 -0.234
 RC180  Fr= 1--       0.714                  0.427                  0.640
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.01    -0.00  -0.00   0.00    -0.03   0.08   0.03
     2   6    -0.02   0.03   0.03    -0.01   0.01   0.00     0.02  -0.00   0.00
     3   6    -0.01  -0.01   0.02     0.00  -0.01   0.01     0.01  -0.08  -0.07
     4   6    -0.01   0.01   0.02    -0.00   0.00   0.00    -0.00   0.02   0.02
     5   6     0.05   0.01  -0.03     0.01   0.00  -0.01    -0.01  -0.02   0.00
     6   6     0.02   0.01  -0.05     0.00   0.00  -0.01    -0.00   0.00  -0.00
     7   6    -0.06  -0.10   0.12    -0.02  -0.00   0.01     0.06  -0.07  -0.02
     8   6     0.01  -0.04  -0.03     0.05   0.01  -0.00    -0.08   0.06   0.01
     9   6     0.03  -0.00  -0.01    -0.04   0.03  -0.07     0.05   0.07   0.01
    10   6     0.03   0.03  -0.06     0.07   0.00   0.05    -0.05  -0.04   0.02
    11   6     0.01   0.01  -0.01     0.00   0.00   0.00     0.00   0.01   0.00
    12   6     0.01   0.00   0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.04   0.02  -0.02     0.00  -0.01  -0.00     0.14  -0.45  -0.28
    16   1    -0.03   0.01   0.04     0.00   0.02   0.02    -0.20   0.47   0.26
    17   1     0.05   0.16   0.09     0.01   0.03   0.02    -0.04   0.07   0.05
    18   1    -0.01   0.13   0.01     0.00   0.01  -0.00     0.00  -0.01  -0.01
    19   1    -0.11  -0.20  -0.46    -0.05   0.00   0.00     0.05  -0.09  -0.14
    20   1    -0.01   0.46   0.19    -0.03   0.02   0.01     0.15   0.03  -0.02
    21   1    -0.18   0.23   0.05    -0.21  -0.28   0.00    -0.14   0.05   0.02
    22   1     0.03   0.01   0.04     0.29   0.04   0.19     0.35   0.04   0.07
    23   1    -0.09  -0.01   0.02    -0.41  -0.22  -0.01     0.02  -0.09  -0.00
    24   1     0.13   0.02   0.08     0.02  -0.11   0.14    -0.11  -0.11   0.01
    25   1    -0.05  -0.27   0.16    -0.15  -0.07  -0.13     0.05   0.12  -0.03
    26   1    -0.03   0.35   0.02    -0.19  -0.40   0.01     0.04  -0.07  -0.00
    27   1    -0.04   0.11   0.11    -0.02   0.44  -0.21     0.01  -0.21   0.02
    28   1     0.02   0.03   0.00     0.00   0.00   0.00     0.01   0.03   0.01
    29   6     0.00  -0.01  -0.01    -0.00  -0.00  -0.00     0.00  -0.02  -0.01
    30   1     0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   1    -0.01  -0.07   0.00    -0.00  -0.01   0.00    -0.01  -0.05  -0.00
    32   1    -0.00   0.03   0.02     0.00   0.00   0.00    -0.01   0.01   0.01
    33   1    -0.01  -0.01   0.02    -0.00  -0.00   0.00    -0.01  -0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    960.5708               971.7720               978.2021
 Red. masses --      1.6253                 1.4883                 1.3889
 Frc consts  --      0.8836                 0.8281                 0.7830
 IR Inten    --      0.1020                 0.0390                 0.1205
 RamAct Fr= 1--      3.0540                 2.5695                 0.4914
  Dep-P Fr= 1--      0.7245                 0.6308                 0.7414
  Dep-U Fr= 1--      0.8403                 0.7736                 0.8515
 Alpha2 Fr= 1--      0.0013                 0.0056                 0.0001
 Beta2  Fr= 1--      0.4277                 0.3313                 0.0697
 AlphaG Fr= 1--     -0.0046                 0.0144                 0.0024
 Gamma2 Fr= 1--     -1.4698                -0.9860                 0.6717
 Delta2 Fr= 1--     -0.4977                -0.1041                -0.1578
 Raman1 Fr= 1--      12.216                 10.278                  1.966
 ROA1   Fr= 1--    -157.032                -97.990                 59.437
 CID1   Fr= 1--     -12.854                 -9.534                 30.238
 Raman2 Fr= 1--       5.132                  3.976                  0.837
 ROA2   Fr= 1--     -31.295                -22.832                 17.384
 CID2   Fr= 1--      -6.098                 -5.743                 20.771
 Raman3 Fr= 1--      10.265                  7.951                  1.674
 ROA3   Fr= 1--    -157.032                -97.990                 59.437
 CID3   Fr= 1--     -15.298                -12.324                 35.510
 RC180  Fr= 1--       0.681                  0.547                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07  -0.06     0.00  -0.01  -0.00    -0.01   0.00   0.01
     2   6     0.01   0.03   0.02    -0.01   0.00   0.00     0.01  -0.02  -0.01
     3   6    -0.04   0.08   0.02     0.00   0.00   0.01     0.00  -0.00   0.00
     4   6     0.00  -0.01   0.00    -0.00   0.00   0.00     0.00   0.02   0.01
     5   6    -0.00  -0.04  -0.01     0.01  -0.01  -0.02     0.03  -0.10  -0.06
     6   6    -0.01   0.02   0.01    -0.00   0.01  -0.00    -0.03   0.10   0.05
     7   6     0.06  -0.09  -0.03    -0.01  -0.02   0.00    -0.01   0.03   0.01
     8   6    -0.08   0.06   0.01    -0.07  -0.07   0.00     0.03   0.00  -0.00
     9   6     0.04   0.09   0.02     0.12  -0.04  -0.04    -0.02  -0.02  -0.00
    10   6    -0.04  -0.03   0.02    -0.06   0.11   0.03     0.01  -0.01  -0.01
    11   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.02   0.01
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.16   0.46   0.23    -0.01   0.03   0.02     0.01  -0.06  -0.02
    16   1     0.10  -0.39  -0.24     0.02  -0.02  -0.00    -0.00   0.04   0.02
    17   1    -0.07   0.16   0.10    -0.01   0.09   0.04    -0.20   0.58   0.30
    18   1     0.03  -0.10  -0.05     0.02  -0.05  -0.04     0.18  -0.56  -0.31
    19   1     0.10  -0.12  -0.16    -0.02  -0.03  -0.03    -0.05   0.05   0.07
    20   1     0.18   0.01  -0.04    -0.03   0.00   0.01    -0.05  -0.00   0.01
    21   1    -0.13   0.04   0.02    -0.23  -0.23   0.01     0.06   0.03  -0.01
    22   1     0.40   0.04   0.05    -0.19   0.04   0.12    -0.10  -0.01  -0.03
    23   1     0.06  -0.10  -0.01    -0.17   0.09   0.05    -0.00   0.02  -0.00
    24   1    -0.19  -0.15  -0.02     0.51   0.22   0.18    -0.00   0.02  -0.01
    25   1     0.04   0.10  -0.03     0.14   0.52  -0.17    -0.02  -0.08   0.03
    26   1     0.02  -0.08  -0.00     0.11  -0.13  -0.05    -0.01   0.03   0.01
    27   1     0.01  -0.17   0.01     0.07  -0.18  -0.11    -0.01   0.03   0.01
    28   1     0.00   0.00   0.01     0.00   0.01   0.01     0.01   0.05   0.03
    29   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.02  -0.01
    30   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   1     0.00   0.00   0.00     0.00  -0.01   0.00    -0.01  -0.05   0.00
    32   1     0.01   0.01   0.00     0.00   0.00   0.00     0.00   0.01   0.01
    33   1     0.00  -0.00  -0.00    -0.00  -0.01   0.00    -0.01  -0.03   0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.7985              1046.2099              1084.0010
 Red. masses --      1.9238                 2.8154                 2.1082
 Frc consts  --      1.1673                 1.8156                 1.4596
 IR Inten    --      2.6223                 4.1554                64.6854
 RamAct Fr= 1--     10.5034                 0.0278                 2.2481
  Dep-P Fr= 1--      0.2824                 0.6633                 0.7133
  Dep-U Fr= 1--      0.4404                 0.7976                 0.8327
 Alpha2 Fr= 1--      0.1135                 0.0000                 0.0014
 Beta2  Fr= 1--      0.7710                 0.0037                 0.3120
 AlphaG Fr= 1--      0.0159                 0.0004                 0.0131
 Gamma2 Fr= 1--     -0.3985                -0.1024                -1.2656
 Delta2 Fr= 1--     -1.3706                 0.1315                 0.3672
 Raman1 Fr= 1--      42.013                  0.111                  8.993
 ROA1   Fr= 1--     -82.120                 -5.624               -109.742
 CID1   Fr= 1--      -1.955                -50.565                -12.204
 Raman2 Fr= 1--       9.252                  0.044                  3.744
 ROA2   Fr= 1--       1.400                 -3.510                -33.311
 CID2   Fr= 1--       0.151                -79.134                 -8.897
 Raman3 Fr= 1--      18.503                  0.089                  7.488
 ROA3   Fr= 1--     -82.120                 -5.624               -109.742
 CID3   Fr= 1--      -4.438                -63.397                -14.656
 RC180  Fr= 1--      -0.119                  0.595                  0.665
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.03     0.05   0.11  -0.17    -0.05  -0.03   0.02
     2   6     0.00   0.01  -0.01    -0.03  -0.01  -0.00     0.00   0.01  -0.04
     3   6     0.00  -0.02   0.01     0.01  -0.09   0.17     0.02  -0.02   0.05
     4   6    -0.07   0.02  -0.03    -0.04  -0.01  -0.00     0.05   0.02  -0.03
     5   6     0.01  -0.04   0.02     0.05   0.11  -0.17    -0.02  -0.00   0.00
     6   6     0.04  -0.01   0.07     0.00  -0.09   0.17     0.01  -0.01   0.03
     7   6    -0.01  -0.00  -0.00     0.01   0.00   0.01     0.02   0.01  -0.03
     8   6    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.02  -0.01   0.03
     9   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.01   0.01  -0.01
    10   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.00  -0.02
    11   6    -0.04  -0.11  -0.14     0.01   0.00   0.03     0.05   0.18  -0.08
    12   6     0.06   0.01   0.06    -0.01   0.00  -0.00    -0.04   0.07   0.03
    13   8    -0.03  -0.02   0.02     0.00   0.00  -0.01    -0.00   0.00   0.00
    14   8    -0.02   0.03  -0.00     0.00  -0.00   0.00     0.02  -0.10   0.02
    15   1     0.01   0.01  -0.06    -0.20   0.14  -0.37    -0.19  -0.01  -0.08
    16   1     0.00   0.05   0.04    -0.29  -0.24   0.24     0.08  -0.01   0.03
    17   1    -0.02   0.10   0.12    -0.19   0.14  -0.36    -0.17  -0.00  -0.14
    18   1     0.13  -0.04   0.02    -0.30  -0.24   0.25     0.05   0.01   0.02
    19   1     0.02  -0.01  -0.01     0.00   0.01   0.01     0.22  -0.03   0.01
    20   1    -0.04   0.01   0.01     0.09  -0.01  -0.01    -0.20  -0.02   0.01
    21   1    -0.03   0.01   0.01     0.02  -0.01  -0.01    -0.13   0.08   0.07
    22   1     0.01   0.00   0.01    -0.00  -0.00  -0.01     0.05   0.02   0.04
    23   1    -0.02  -0.00   0.00     0.02   0.00  -0.00    -0.06  -0.02   0.00
    24   1     0.02   0.00   0.01    -0.02  -0.00  -0.01     0.04  -0.01   0.04
    25   1    -0.00  -0.02   0.01     0.00   0.02  -0.01    -0.01  -0.08   0.05
    26   1    -0.00   0.02   0.00     0.00  -0.02  -0.00    -0.01   0.11   0.00
    27   1    -0.00   0.01   0.01     0.00  -0.01  -0.00    -0.01   0.02   0.04
    28   1    -0.24  -0.50  -0.33     0.06   0.08   0.06     0.15  -0.10  -0.28
    29   6     0.08   0.10   0.07     0.01  -0.01  -0.02    -0.05  -0.10   0.08
    30   1    -0.01   0.07  -0.01    -0.00  -0.01   0.00     0.01   0.27  -0.12
    31   1    -0.11   0.19  -0.12    -0.01  -0.09   0.01     0.03   0.33  -0.06
    32   1    -0.13  -0.23  -0.10    -0.00   0.07   0.03     0.02  -0.48  -0.18
    33   1     0.03   0.54  -0.07    -0.01  -0.01   0.04     0.04  -0.12  -0.24
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1097.2443              1106.9971              1138.3399
 Red. masses --      1.5699                 1.8126                 2.1664
 Frc consts  --      1.1136                 1.3087                 1.6540
 IR Inten    --     13.5013                30.6344                 2.9823
 RamAct Fr= 1--      1.8319                 4.5795                19.1728
  Dep-P Fr= 1--      0.5176                 0.1428                 0.3485
  Dep-U Fr= 1--      0.6822                 0.2499                 0.5169
 Alpha2 Fr= 1--      0.0083                 0.0721                 0.1691
 Beta2  Fr= 1--      0.2083                 0.1907                 1.6518
 AlphaG Fr= 1--     -0.0077                 0.0621                -0.0666
 Gamma2 Fr= 1--      1.3878                -1.0629                 1.4659
 Delta2 Fr= 1--      1.3491                 0.7727                 0.8246
 Raman1 Fr= 1--       7.328                 18.318                 76.691
 ROA1   Fr= 1--     176.398                -77.314                167.110
 CID1   Fr= 1--      24.073                 -4.221                  2.179
 Raman2 Fr= 1--       2.499                  2.288                 19.821
 ROA2   Fr= 1--      22.514                -31.691                 28.584
 CID2   Fr= 1--       9.008                -13.848                  1.442
 Raman3 Fr= 1--       4.999                  4.577                 39.642
 ROA3   Fr= 1--     176.398                -77.314                167.110
 CID3   Fr= 1--      35.289                -16.892                  4.215
 RC180  Fr= 1--       0.364                 -0.500                  0.034
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.02     0.02   0.02  -0.03    -0.03  -0.03   0.00
     2   6    -0.02  -0.02   0.04    -0.01  -0.01   0.05    -0.03   0.05   0.00
     3   6    -0.01  -0.00  -0.02    -0.03   0.01  -0.02     0.03  -0.01   0.03
     4   6     0.03   0.02   0.06    -0.03  -0.04  -0.01     0.02   0.02  -0.01
     5   6     0.03   0.01  -0.03     0.02   0.01   0.02    -0.02  -0.01  -0.00
     6   6    -0.02   0.02  -0.05     0.01   0.01  -0.03     0.02  -0.01   0.00
     7   6    -0.00  -0.02   0.04    -0.02  -0.03   0.07     0.04  -0.09  -0.05
     8   6     0.03   0.02  -0.05     0.04   0.04  -0.07     0.14   0.17   0.07
     9   6    -0.02  -0.01   0.02    -0.02  -0.02   0.02    -0.06  -0.06  -0.10
    10   6    -0.01  -0.01   0.03    -0.02  -0.01   0.05    -0.07  -0.07   0.04
    11   6     0.06  -0.06  -0.08    -0.03   0.13   0.00    -0.00  -0.00   0.00
    12   6     0.02  -0.00   0.02    -0.03   0.06   0.01     0.01  -0.03  -0.01
    13   8    -0.02  -0.02   0.03     0.01   0.02  -0.03    -0.00  -0.00   0.01
    14   8    -0.01   0.01   0.00     0.01  -0.07   0.01    -0.00   0.03  -0.01
    15   1     0.04   0.01   0.02     0.08   0.02   0.01    -0.18   0.04  -0.07
    16   1    -0.17  -0.03   0.04    -0.12  -0.07  -0.02     0.16   0.06   0.00
    17   1     0.08   0.06   0.05     0.18  -0.04   0.12    -0.14   0.01  -0.10
    18   1    -0.12  -0.01  -0.02     0.02   0.04  -0.02     0.15   0.12   0.00
    19   1    -0.27   0.03  -0.02    -0.42   0.04  -0.05    -0.21  -0.02  -0.04
    20   1     0.28   0.04   0.00     0.38   0.07   0.01    -0.10   0.08   0.00
    21   1     0.17  -0.07  -0.09     0.24  -0.08  -0.12     0.13   0.46   0.12
    22   1    -0.07  -0.02  -0.05    -0.11  -0.03  -0.07    -0.24   0.01   0.10
    23   1     0.07   0.03  -0.00     0.09   0.04  -0.00    -0.41   0.01   0.00
    24   1    -0.05   0.01  -0.05    -0.06   0.02  -0.07     0.20   0.07   0.09
    25   1     0.01   0.11  -0.06     0.02   0.15  -0.08     0.09   0.11   0.02
    26   1     0.02  -0.15  -0.00     0.03  -0.22  -0.00     0.09  -0.14   0.00
    27   1     0.02  -0.05  -0.05     0.03  -0.07  -0.08     0.01  -0.30   0.04
    28   1     0.33  -0.18  -0.22    -0.11   0.04  -0.03    -0.08   0.02   0.04
    29   6    -0.10   0.05   0.03     0.07  -0.08   0.02    -0.01   0.00   0.00
    30   1    -0.00   0.10  -0.03     0.00   0.13  -0.07     0.00  -0.09   0.04
    31   1     0.18   0.42   0.09    -0.16  -0.19  -0.13     0.01   0.02   0.01
    32   1     0.21   0.02  -0.05    -0.18  -0.25  -0.04     0.01   0.00  -0.00
    33   1     0.04  -0.37  -0.15    -0.01   0.31   0.01     0.00  -0.02  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1148.3705              1161.5098              1193.8617
 Red. masses --      1.5710                 2.0470                 1.7705
 Frc consts  --      1.2207                 1.6271                 1.4868
 IR Inten    --     51.5400               152.8042                 9.1549
 RamAct Fr= 1--      1.8036                 1.3813                 2.8205
  Dep-P Fr= 1--      0.3568                 0.7274                 0.5975
  Dep-U Fr= 1--      0.5260                 0.8422                 0.7480
 Alpha2 Fr= 1--      0.0155                 0.0005                 0.0080
 Beta2  Fr= 1--      0.1581                 0.1939                 0.3516
 AlphaG Fr= 1--     -0.0132                 0.0047                -0.0062
 Gamma2 Fr= 1--     -1.5413                -1.4526                 1.8302
 Delta2 Fr= 1--     -0.7734                -0.4285                -0.4351
 Raman1 Fr= 1--       7.214                  5.525                 11.282
 ROA1   Fr= 1--    -172.710               -153.164                161.776
 CID1   Fr= 1--     -23.940                -27.721                 14.339
 Raman2 Fr= 1--       1.897                  2.327                  4.220
 ROA2   Fr= 1--     -30.803                -31.435                 47.406
 CID2   Fr= 1--     -16.235                -13.511                 11.235
 Raman3 Fr= 1--       3.795                  4.653                  8.439
 ROA3   Fr= 1--    -172.710               -153.164                161.776
 CID3   Fr= 1--     -45.514                -32.914                 19.169
 RC180  Fr= 1--       0.052                  0.684                  0.496
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.02   0.01    -0.03  -0.00  -0.01     0.00  -0.00   0.00
     2   6    -0.01   0.00   0.01     0.01   0.00  -0.00     0.01   0.00  -0.01
     3   6    -0.05   0.00  -0.04     0.04   0.01  -0.01    -0.00  -0.00   0.00
     4   6    -0.04  -0.02   0.02    -0.05  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.05   0.02  -0.01    -0.05  -0.02  -0.01    -0.00  -0.00   0.00
     6   6    -0.05  -0.01  -0.01     0.05   0.00   0.02    -0.00  -0.00   0.01
     7   6     0.02  -0.00  -0.07    -0.01  -0.01   0.02    -0.03   0.02   0.05
     8   6     0.02   0.03   0.07     0.00   0.00  -0.02     0.15  -0.12   0.01
     9   6    -0.01  -0.01  -0.05    -0.00  -0.00   0.01    -0.06   0.09  -0.04
    10   6    -0.01  -0.02  -0.02    -0.00   0.00   0.01    -0.10   0.04  -0.04
    11   6    -0.00  -0.02   0.00     0.00  -0.12   0.05     0.00  -0.00   0.00
    12   6    -0.02   0.08   0.03    -0.05   0.15   0.05    -0.00   0.00   0.00
    13   8     0.01   0.01  -0.02     0.02   0.02  -0.05     0.00   0.00  -0.00
    14   8     0.00  -0.07   0.02     0.01  -0.12   0.05     0.00  -0.00   0.00
    15   1     0.42  -0.01   0.29    -0.18   0.01  -0.13     0.02  -0.00   0.02
    16   1    -0.29  -0.10   0.02     0.34   0.18  -0.07    -0.01  -0.00   0.00
    17   1     0.30   0.01   0.19    -0.24   0.01  -0.14    -0.02  -0.00  -0.01
    18   1    -0.35  -0.14   0.06     0.30   0.12  -0.03    -0.01  -0.02   0.01
    19   1     0.14  -0.00   0.05    -0.05  -0.00  -0.02     0.04  -0.00   0.01
    20   1    -0.21  -0.06  -0.04     0.05   0.02   0.01    -0.23   0.11   0.10
    21   1    -0.07   0.18   0.11     0.02  -0.02  -0.02     0.34  -0.27  -0.05
    22   1    -0.03   0.02   0.08    -0.01  -0.01  -0.02     0.34   0.04   0.06
    23   1    -0.19  -0.02   0.00     0.03   0.01   0.00    -0.18  -0.25  -0.06
    24   1     0.11   0.01   0.07    -0.01   0.00  -0.01    -0.23  -0.21   0.05
    25   1     0.02  -0.06   0.06    -0.00   0.02  -0.01     0.18   0.29   0.04
    26   1     0.02   0.10   0.00    -0.00  -0.04   0.00     0.23   0.21  -0.06
    27   1    -0.01  -0.06   0.07     0.00   0.00  -0.02     0.01  -0.35   0.05
    28   1     0.18  -0.07  -0.07     0.30  -0.17  -0.06     0.00  -0.00  -0.00
    29   6     0.01   0.01  -0.02     0.01   0.06  -0.07     0.00   0.00  -0.00
    30   1    -0.01   0.22  -0.09    -0.03   0.43  -0.19    -0.00   0.01  -0.00
    31   1    -0.01  -0.06   0.00     0.04  -0.18   0.06     0.00  -0.00   0.00
    32   1    -0.00   0.08   0.03     0.04   0.32   0.09    -0.00   0.00   0.00
    33   1    -0.01   0.01   0.04    -0.03  -0.07   0.14    -0.00  -0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1211.9091              1221.8476              1236.4767
 Red. masses --      1.2765                 2.1191                 2.3417
 Frc consts  --      1.1046                 1.8640                 2.1094
 IR Inten    --      3.1718                10.3187                 1.3854
 RamAct Fr= 1--     39.3219                30.3008                31.0290
  Dep-P Fr= 1--      0.0843                 0.1618                 0.1278
  Dep-U Fr= 1--      0.1554                 0.2786                 0.2267
 Alpha2 Fr= 1--      0.7154                 0.4545                 0.5072
 Beta2  Fr= 1--      1.0187                 1.4069                 1.1722
 AlphaG Fr= 1--     -0.0312                -0.0337                -0.1238
 Gamma2 Fr= 1--      0.7104                 0.6884                -1.1154
 Delta2 Fr= 1--      0.3799                -0.1249                 0.1557
 Raman1 Fr= 1--     157.288                121.203                124.116
 ROA1   Fr= 1--      80.359                 62.088               -102.092
 CID1   Fr= 1--       0.511                  0.512                 -0.823
 Raman2 Fr= 1--      12.224                 16.883                 14.067
 ROA2   Fr= 1--      14.011                 17.520                -28.015
 CID2   Fr= 1--       1.146                  1.038                 -1.992
 Raman3 Fr= 1--      24.449                 33.765                 28.134
 ROA3   Fr= 1--      80.359                 62.088               -102.092
 CID3   Fr= 1--       3.287                  1.839                 -3.629
 RC180  Fr= 1--      -0.689                 -0.443                 -0.547
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.02  -0.04    -0.08  -0.03   0.02     0.05  -0.00   0.03
     2   6     0.04   0.01   0.01    -0.04  -0.01  -0.02     0.27   0.08   0.05
     3   6     0.02   0.03  -0.04     0.06   0.00   0.03    -0.07   0.01  -0.06
     4   6    -0.10  -0.03  -0.01     0.21   0.06   0.02     0.04   0.02  -0.01
     5   6     0.01  -0.02   0.03     0.08   0.01   0.04    -0.07  -0.05   0.04
     6   6    -0.01  -0.02   0.04    -0.10  -0.01  -0.04     0.03   0.00   0.01
     7   6    -0.02  -0.00  -0.01     0.02   0.01   0.02    -0.09  -0.04  -0.03
     8   6     0.00   0.00   0.00     0.00   0.00  -0.02     0.00   0.01  -0.06
     9   6     0.00  -0.00  -0.00    -0.00   0.00   0.01     0.01  -0.01   0.02
    10   6    -0.00  -0.00   0.00    -0.00   0.00   0.01     0.00  -0.00   0.03
    11   6     0.04   0.02   0.01    -0.08  -0.05  -0.01     0.01  -0.01   0.00
    12   6     0.00  -0.01  -0.00    -0.01   0.03   0.00    -0.01   0.00  -0.00
    13   8    -0.00  -0.00   0.01     0.01   0.01  -0.03     0.00   0.00  -0.00
    14   8     0.00   0.01  -0.01    -0.00  -0.04   0.02    -0.00  -0.01   0.01
    15   1    -0.29   0.06  -0.27    -0.40  -0.00  -0.23    -0.16   0.03  -0.14
    16   1     0.48   0.25  -0.16     0.04  -0.01   0.05    -0.39  -0.14   0.02
    17   1     0.37  -0.05   0.32     0.21   0.00   0.13    -0.30  -0.03  -0.14
    18   1    -0.36  -0.19   0.13    -0.48  -0.18   0.04    -0.29  -0.15   0.11
    19   1    -0.04  -0.00  -0.01     0.08  -0.02  -0.03    -0.23  -0.02  -0.05
    20   1    -0.06  -0.01  -0.00     0.02   0.01   0.02    -0.54   0.09   0.06
    21   1    -0.00   0.01   0.00     0.01   0.02  -0.01    -0.06   0.08  -0.04
    22   1    -0.00   0.00   0.00     0.00  -0.00  -0.02    -0.05  -0.02  -0.06
    23   1    -0.01  -0.00  -0.00     0.02   0.00  -0.00     0.07   0.04   0.01
    24   1     0.01   0.00   0.00    -0.02  -0.00  -0.01    -0.02   0.03  -0.05
    25   1     0.00   0.00   0.00    -0.00   0.03  -0.02    -0.03   0.05  -0.05
    26   1     0.00   0.00  -0.00     0.00  -0.04   0.00    -0.01  -0.12   0.01
    27   1    -0.00  -0.00   0.00     0.01  -0.01  -0.02     0.02   0.02  -0.07
    28   1     0.21   0.08   0.00    -0.48  -0.21  -0.01    -0.13  -0.05   0.01
    29   6    -0.01  -0.01   0.01     0.02   0.03  -0.03    -0.01   0.01  -0.01
    30   1     0.01  -0.06   0.03    -0.02   0.19  -0.08    -0.01   0.07  -0.03
    31   1     0.01   0.05   0.00    -0.03  -0.11  -0.01     0.01  -0.01   0.02
    32   1     0.03  -0.03  -0.01    -0.05   0.09   0.03     0.01   0.02  -0.00
    33   1     0.00  -0.00  -0.03    -0.01   0.02   0.06    -0.00  -0.04   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1248.7581              1280.3344              1309.5302
 Red. masses --      1.6085                 1.7853                 1.6109
 Frc consts  --      1.4779                 1.7242                 1.6276
 IR Inten    --      1.1141                 3.0147                 4.5494
 RamAct Fr= 1--      5.2935                 4.4022                 3.5171
  Dep-P Fr= 1--      0.5006                 0.6526                 0.7216
  Dep-U Fr= 1--      0.6672                 0.7898                 0.8383
 Alpha2 Fr= 1--      0.0261                 0.0077                 0.0017
 Beta2  Fr= 1--      0.5886                 0.5795                 0.4914
 AlphaG Fr= 1--      0.0032                 0.0122                 0.0004
 Gamma2 Fr= 1--      2.4349                 2.1244                -3.8121
 Delta2 Fr= 1--     -0.1589                 1.1962                -0.7062
 Raman1 Fr= 1--      21.174                 17.609                 14.068
 ROA1   Fr= 1--     228.665                242.224               -388.561
 CID1   Fr= 1--      10.799                 13.756                -27.620
 Raman2 Fr= 1--       7.064                  6.954                  5.897
 ROA2   Fr= 1--      59.708                 41.417                -85.840
 CID2   Fr= 1--       8.453                  5.956                -14.557
 Raman3 Fr= 1--      14.127                 13.907                 11.794
 ROA3   Fr= 1--     228.665                242.224               -388.561
 CID3   Fr= 1--      16.186                 17.417                -32.947
 RC180  Fr= 1--       0.334                  0.580                  0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.03    -0.04  -0.00  -0.02    -0.03   0.00  -0.03
     2   6    -0.05   0.01  -0.09     0.01  -0.01   0.02     0.00  -0.02   0.03
     3   6    -0.01  -0.02   0.03     0.03   0.03  -0.03     0.03   0.02  -0.02
     4   6    -0.04   0.01  -0.04     0.07  -0.05   0.11     0.01  -0.04   0.09
     5   6     0.03   0.01   0.01    -0.00   0.02  -0.03    -0.02   0.01  -0.03
     6   6    -0.03  -0.02   0.03     0.01   0.02  -0.03     0.03   0.02  -0.02
     7   6     0.01  -0.01   0.06    -0.00   0.00  -0.00    -0.01   0.00  -0.00
     8   6     0.02   0.03  -0.14     0.00   0.00  -0.02    -0.00  -0.00  -0.00
     9   6    -0.01  -0.01   0.04    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   6    -0.01  -0.00   0.09    -0.00   0.00   0.01     0.00   0.00   0.01
    11   6     0.02  -0.00   0.01    -0.16   0.01  -0.01    -0.05  -0.06  -0.06
    12   6    -0.00  -0.00  -0.00     0.02   0.06   0.04     0.05  -0.11  -0.03
    13   8     0.00   0.00   0.00    -0.02  -0.04   0.03     0.01   0.05  -0.03
    14   8     0.00   0.00   0.00     0.02   0.01  -0.04    -0.03   0.00   0.05
    15   1     0.19  -0.04   0.16     0.04  -0.02   0.05     0.08  -0.01   0.06
    16   1     0.11   0.04  -0.00     0.10   0.05  -0.05     0.09   0.06  -0.04
    17   1     0.05   0.00   0.03    -0.22   0.04  -0.21    -0.12   0.02  -0.11
    18   1     0.01  -0.02   0.02    -0.20  -0.08   0.02    -0.12  -0.05   0.02
    19   1     0.53  -0.16  -0.17     0.11  -0.03  -0.02     0.11  -0.03  -0.02
    20   1    -0.37   0.21   0.15    -0.14   0.02   0.02    -0.04  -0.01   0.00
    21   1     0.05   0.27  -0.11     0.00   0.07  -0.01     0.06   0.06  -0.01
    22   1    -0.03  -0.04  -0.12    -0.00  -0.00  -0.02     0.01   0.00   0.00
    23   1     0.13   0.04   0.01     0.01   0.00   0.00    -0.01  -0.00  -0.00
    24   1    -0.08   0.04  -0.10    -0.01   0.01  -0.01     0.01   0.00   0.00
    25   1    -0.04   0.16  -0.13    -0.01   0.02  -0.02    -0.01   0.01  -0.01
    26   1     0.01  -0.32   0.01    -0.00  -0.04   0.00    -0.01  -0.02   0.00
    27   1     0.05  -0.03  -0.17     0.01  -0.00  -0.02     0.00   0.00  -0.01
    28   1     0.02   0.02   0.02     0.62  -0.01  -0.22     0.06   0.54   0.29
    29   6    -0.01  -0.00  -0.00     0.06  -0.00   0.01     0.02  -0.01   0.06
    30   1     0.00   0.00   0.00     0.03  -0.45   0.15    -0.07   0.59  -0.21
    31   1     0.02   0.01   0.01    -0.11  -0.09  -0.09    -0.06   0.14  -0.07
    32   1     0.02   0.01   0.00    -0.14  -0.07   0.01    -0.04  -0.15  -0.02
    33   1    -0.00  -0.02  -0.00     0.01   0.14   0.05     0.03   0.15  -0.08
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1318.7577              1349.4221              1363.5528
 Red. masses --      1.3452                 2.1929                 1.5531
 Frc consts  --      1.3784                 2.3527                 1.7014
 IR Inten    --      1.2367                 1.0689                 1.1628
 RamAct Fr= 1--     19.8070                 2.9368                 6.9079
  Dep-P Fr= 1--      0.3018                 0.6304                 0.6287
  Dep-U Fr= 1--      0.4636                 0.7733                 0.7720
 Alpha2 Fr= 1--      0.2021                 0.0064                 0.0152
 Beta2  Fr= 1--      1.5306                 0.3785                 0.8889
 AlphaG Fr= 1--      0.0519                -0.0309                -0.0267
 Gamma2 Fr= 1--      2.1188                -6.2323                 4.2854
 Delta2 Fr= 1--     -0.6341                -2.6563                 1.9156
 Raman1 Fr= 1--      79.228                 11.747                 27.631
 ROA1   Fr= 1--     183.110               -683.303                472.698
 CID1   Fr= 1--       2.311                -58.168                 17.107
 Raman2 Fr= 1--      18.367                  4.542                 10.666
 ROA2   Fr= 1--      55.923               -128.325                 87.525
 CID2   Fr= 1--       3.045                -28.254                  8.206
 Raman3 Fr= 1--      36.734                  9.084                 21.333
 ROA3   Fr= 1--     183.110               -683.303                472.698
 CID3   Fr= 1--       4.985                -75.223                 22.158
 RC180  Fr= 1--      -0.073                  0.547                  0.544
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.06   0.01  -0.06     0.08  -0.01   0.06
     2   6     0.05  -0.03   0.02    -0.03  -0.10   0.16     0.01  -0.00   0.00
     3   6    -0.00   0.01  -0.01     0.12   0.06  -0.03    -0.03  -0.01  -0.01
     4   6    -0.00  -0.00   0.00    -0.02  -0.04   0.06     0.03   0.06  -0.09
     5   6    -0.02  -0.01   0.00    -0.10   0.01  -0.08     0.03  -0.00   0.02
     6   6     0.02   0.01  -0.00     0.07   0.04  -0.02    -0.09  -0.03   0.01
     7   6    -0.12   0.02   0.03     0.00   0.04  -0.04    -0.04   0.03  -0.02
     8   6    -0.06   0.01   0.04     0.05  -0.06  -0.03     0.05  -0.05  -0.01
     9   6     0.01  -0.01  -0.07    -0.01   0.01   0.02    -0.01   0.01   0.01
    10   6     0.01   0.00   0.01    -0.01   0.01   0.03    -0.01   0.01   0.01
    11   6     0.01   0.01   0.01     0.03   0.03   0.01    -0.06  -0.06  -0.02
    12   6    -0.00   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.07   0.00  -0.07    -0.14   0.01  -0.12    -0.32   0.03  -0.25
    16   1    -0.10  -0.04   0.01    -0.32  -0.16   0.08    -0.24  -0.10   0.04
    17   1    -0.00  -0.01   0.02     0.32  -0.03   0.25     0.15  -0.01   0.11
    18   1     0.00  -0.02  -0.01     0.21   0.10  -0.06     0.32   0.15  -0.10
    19   1     0.50  -0.16  -0.19     0.18   0.01   0.05     0.05   0.00  -0.02
    20   1     0.33  -0.16  -0.08    -0.24  -0.06  -0.01     0.17  -0.13  -0.08
    21   1     0.60   0.18  -0.06    -0.30   0.41   0.11    -0.24   0.27   0.10
    22   1     0.04   0.03   0.12     0.03  -0.01  -0.07     0.02  -0.01  -0.03
    23   1    -0.14   0.00  -0.02     0.04  -0.05  -0.00     0.04  -0.04  -0.01
    24   1     0.16   0.02   0.09    -0.07  -0.02  -0.02    -0.02  -0.02   0.01
    25   1    -0.04  -0.03  -0.01     0.00   0.08  -0.04     0.01   0.03   0.01
    26   1    -0.05  -0.08   0.01     0.05  -0.07   0.00     0.06  -0.04  -0.01
    27   1     0.01   0.01   0.01     0.02   0.00  -0.09     0.01  -0.02  -0.05
    28   1    -0.05  -0.07  -0.03    -0.22  -0.19  -0.06     0.43   0.35   0.11
    29   6    -0.00   0.00  -0.01    -0.01  -0.01  -0.01     0.02  -0.00   0.03
    30   1     0.01  -0.04   0.02     0.00  -0.01   0.01    -0.00  -0.02   0.00
    31   1     0.01  -0.01   0.01     0.02  -0.01   0.02    -0.05   0.06  -0.06
    32   1     0.01   0.02   0.00     0.04   0.05   0.01    -0.05  -0.05   0.01
    33   1    -0.00  -0.02   0.01    -0.01  -0.01  -0.00     0.02   0.08  -0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1372.1878              1374.6008              1392.5982
 Red. masses --      1.4803                 1.3010                 1.9967
 Frc consts  --      1.6422                 1.4483                 2.2814
 IR Inten    --      0.7810                 3.4318                45.6123
 RamAct Fr= 1--      5.2668                13.5737                 4.7909
  Dep-P Fr= 1--      0.2728                 0.5256                 0.7474
  Dep-U Fr= 1--      0.4287                 0.6891                 0.8555
 Alpha2 Fr= 1--      0.0585                 0.0591                 0.0002
 Beta2  Fr= 1--      0.3763                 1.5589                 0.6831
 AlphaG Fr= 1--     -0.1429                -0.0679                 0.0048
 Gamma2 Fr= 1--     -2.9752                -0.0631                 1.7726
 Delta2 Fr= 1--      0.0173                 1.8813                -1.6427
 Raman1 Fr= 1--      21.067                 54.295                 19.163
 ROA1   Fr= 1--    -285.068                 54.149                117.605
 CID1   Fr= 1--     -13.531                  0.997                  6.137
 Raman2 Fr= 1--       4.516                 18.706                  8.197
 ROA2   Fr= 1--     -71.544                -16.564                 55.684
 CID2   Fr= 1--     -15.842                 -0.885                  6.793
 Raman3 Fr= 1--       9.032                 37.413                 16.394
 ROA3   Fr= 1--    -285.068                 54.149                117.605
 CID3   Fr= 1--     -31.563                  1.447                  7.174
 RC180  Fr= 1--      -0.143                  0.378                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.00    -0.00   0.01  -0.01    -0.03  -0.00  -0.02
     2   6    -0.03   0.01   0.00     0.01   0.03  -0.04    -0.00   0.00   0.00
     3   6     0.00  -0.00   0.01    -0.04  -0.02   0.01     0.02   0.00   0.00
     4   6     0.00   0.01  -0.02    -0.01  -0.02   0.02    -0.01   0.00   0.02
     5   6     0.01   0.00  -0.00     0.03  -0.00   0.02    -0.01  -0.01   0.00
     6   6    -0.02  -0.01   0.00     0.01   0.01  -0.01     0.03   0.01  -0.01
     7   6     0.11  -0.01  -0.01    -0.04   0.03  -0.01    -0.00   0.00   0.00
     8   6    -0.12  -0.10  -0.00     0.04  -0.11  -0.01     0.00  -0.00  -0.00
     9   6     0.01   0.03  -0.04    -0.02   0.02   0.00    -0.00   0.00   0.00
    10   6     0.04  -0.01   0.03    -0.01   0.01   0.03    -0.00  -0.00   0.00
    11   6    -0.01  -0.01  -0.00     0.02   0.02   0.01     0.08  -0.11  -0.10
    12   6    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.11   0.18   0.05
    13   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.03   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.03  -0.03  -0.03
    15   1    -0.04   0.02  -0.02     0.18  -0.02   0.12     0.08  -0.02   0.07
    16   1    -0.03  -0.01   0.01     0.22   0.11  -0.06     0.01   0.02   0.02
    17   1     0.06  -0.00   0.04    -0.21   0.02  -0.16    -0.03   0.00  -0.00
    18   1     0.07   0.04  -0.01    -0.19  -0.09   0.04    -0.11  -0.06   0.03
    19   1    -0.40   0.14   0.16    -0.16   0.05  -0.01    -0.01   0.00  -0.00
    20   1    -0.29   0.13   0.08     0.36  -0.21  -0.12     0.03  -0.01  -0.01
    21   1     0.55   0.42  -0.05    -0.25   0.58   0.17    -0.02   0.02   0.01
    22   1     0.11   0.04   0.08     0.07  -0.00  -0.02     0.01  -0.00  -0.00
    23   1    -0.03  -0.06  -0.04     0.07  -0.10  -0.03     0.01  -0.00  -0.00
    24   1     0.07  -0.05   0.10    -0.00  -0.04   0.07     0.00   0.00   0.01
    25   1    -0.04   0.11  -0.15     0.02   0.10  -0.03     0.01   0.02  -0.01
    26   1    -0.09   0.06   0.06     0.06  -0.04   0.01     0.01   0.01   0.00
    27   1    -0.01   0.20  -0.07     0.01   0.05  -0.09    -0.00   0.01  -0.01
    28   1     0.06   0.06   0.02    -0.14  -0.13  -0.05    -0.36   0.54   0.40
    29   6     0.00  -0.00   0.00    -0.01   0.00  -0.01    -0.01   0.03   0.06
    30   1     0.00  -0.01   0.00    -0.00   0.02  -0.01     0.04  -0.42   0.14
    31   1    -0.01   0.01  -0.01     0.01  -0.04   0.02    -0.07   0.00   0.00
    32   1    -0.01  -0.00   0.00     0.01   0.00  -0.01     0.11  -0.17  -0.09
    33   1     0.00   0.01  -0.01    -0.01  -0.04   0.02     0.07  -0.02  -0.18
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1403.4847              1415.9926              1423.2318
 Red. masses --      1.2586                 1.2214                 1.2349
 Frc consts  --      1.4607                 1.4429                 1.4737
 IR Inten    --      5.1203                11.0293                 6.5144
 RamAct Fr= 1--      0.1820                 0.8836                 0.8939
  Dep-P Fr= 1--      0.4116                 0.6359                 0.6088
  Dep-U Fr= 1--      0.5832                 0.7774                 0.7568
 Alpha2 Fr= 1--      0.0013                 0.0018                 0.0023
 Beta2  Fr= 1--      0.0177                 0.1145                 0.1128
 AlphaG Fr= 1--     -0.0031                 0.0038                -0.0019
 Gamma2 Fr= 1--      0.0004                 0.1250                 0.0120
 Delta2 Fr= 1--      0.0125                 0.0897                 0.1518
 Raman1 Fr= 1--       0.728                  3.534                  3.575
 ROA1   Fr= 1--       0.434                 14.874                  6.008
 CID1   Fr= 1--       0.596                  4.208                  1.680
 Raman2 Fr= 1--       0.212                  1.374                  1.353
 ROA2   Fr= 1--      -0.091                  2.283                 -0.926
 CID2   Fr= 1--      -0.430                  1.662                 -0.685
 Raman3 Fr= 1--       0.424                  2.748                  2.706
 ROA3   Fr= 1--       0.434                 14.874                  6.008
 CID3   Fr= 1--       1.022                  5.413                  2.220
 RC180  Fr= 1--       0.166                  0.555                  0.514
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00     0.00   0.00   0.00
     2   6     0.00  -0.00   0.00     0.00   0.01  -0.01     0.01  -0.00  -0.00
     3   6     0.00   0.00  -0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.01     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.01  -0.01   0.00    -0.00  -0.00   0.00    -0.02   0.00   0.00
     8   6     0.02   0.03  -0.00     0.00  -0.00   0.00     0.00   0.01  -0.00
     9   6    -0.10  -0.04  -0.01    -0.00   0.00  -0.00     0.09   0.02   0.02
    10   6    -0.02  -0.09   0.01     0.00   0.00  -0.00    -0.01  -0.10   0.02
    11   6    -0.00   0.00   0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.01   0.03  -0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00  -0.00    -0.00  -0.01   0.01    -0.00  -0.00   0.00
    14   8    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.00   0.00  -0.00
    15   1    -0.01  -0.00  -0.00     0.02  -0.01   0.02    -0.00  -0.00  -0.00
    16   1    -0.01  -0.01   0.00    -0.01  -0.01   0.01     0.00   0.00  -0.00
    17   1     0.01  -0.00   0.01    -0.03  -0.01  -0.02    -0.01   0.00  -0.01
    18   1     0.01   0.00  -0.00    -0.04  -0.02   0.01     0.00  -0.00  -0.00
    19   1     0.07  -0.03  -0.01    -0.02   0.00  -0.01     0.10  -0.02   0.01
    20   1     0.01   0.02   0.00     0.02  -0.01  -0.00     0.07   0.02  -0.01
    21   1    -0.05  -0.09  -0.01    -0.00   0.01   0.00    -0.02  -0.02  -0.01
    22   1     0.39  -0.07   0.12     0.00  -0.00   0.00    -0.36   0.05  -0.11
    23   1     0.39   0.18  -0.09     0.01  -0.00  -0.00    -0.37  -0.10   0.10
    24   1     0.30   0.25   0.15     0.00  -0.00   0.01    -0.27  -0.18  -0.20
    25   1     0.17   0.29  -0.14    -0.00  -0.00   0.00     0.16   0.33  -0.21
    26   1     0.11   0.36   0.07    -0.00  -0.01  -0.00     0.07   0.41   0.10
    27   1    -0.11   0.34  -0.11     0.00  -0.01   0.00    -0.12   0.37  -0.13
    28   1     0.01  -0.01  -0.01    -0.04   0.03   0.02     0.00  -0.00  -0.00
    29   6     0.00  -0.00  -0.00    -0.02  -0.13  -0.02    -0.00  -0.00  -0.00
    30   1    -0.00   0.01  -0.00     0.01  -0.05   0.02     0.00   0.00   0.00
    31   1     0.00   0.00  -0.00     0.22   0.54  -0.11     0.00   0.01  -0.00
    32   1    -0.00   0.00   0.00     0.09   0.47   0.32     0.00   0.01   0.01
    33   1    -0.00   0.00   0.00    -0.14   0.52   0.04    -0.00   0.01   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.1315              1485.4457              1490.0566
 Red. masses --      2.4817                 1.0759                 1.0464
 Frc consts  --      3.1173                 1.3987                 1.3689
 IR Inten    --      8.7795                 0.4975                 1.5185
 RamAct Fr= 1--      0.4455                 1.6937                14.4810
  Dep-P Fr= 1--      0.6915                 0.6639                 0.7285
  Dep-U Fr= 1--      0.8176                 0.7980                 0.8429
 Alpha2 Fr= 1--      0.0005                 0.0026                 0.0053
 Beta2  Fr= 1--      0.0607                 0.2253                 2.0344
 AlphaG Fr= 1--     -0.0145                -0.0296                 0.0075
 Gamma2 Fr= 1--      2.1194                -1.4507                -2.3491
 Delta2 Fr= 1--     -1.0146                 0.2443                 1.2043
 Raman1 Fr= 1--       1.782                  6.775                 57.924
 ROA1   Fr= 1--     170.991               -131.450               -186.979
 CID1   Fr= 1--      95.956                -19.403                 -3.228
 Raman2 Fr= 1--       0.728                  2.703                 24.412
 ROA2   Fr= 1--      58.982                -36.771                -66.014
 CID2   Fr= 1--      80.969                -13.603                 -2.704
 Raman3 Fr= 1--       1.457                  5.406                 48.825
 ROA3   Fr= 1--     170.991               -131.450               -186.979
 CID3   Fr= 1--     117.365                -24.314                 -3.830
 RC180  Fr= 1--       0.635                  0.596                  0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.04  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.01  -0.08   0.13     0.01  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.13  -0.01  -0.06     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.02  -0.08   0.13     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.14   0.04   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.13  -0.01  -0.06     0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.01   0.01  -0.04    -0.04  -0.04  -0.03    -0.01  -0.01  -0.01
     8   6    -0.00   0.01  -0.00     0.01   0.01   0.00     0.01   0.00  -0.00
     9   6    -0.00  -0.01   0.00    -0.02   0.03   0.01     0.01  -0.00  -0.04
    10   6    -0.00   0.00   0.00     0.03  -0.00  -0.00    -0.00   0.01   0.03
    11   6     0.04   0.02  -0.03    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.01   0.02   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1    -0.20   0.09  -0.28    -0.00  -0.00   0.00     0.00  -0.00   0.00
    16   1     0.31   0.21  -0.18    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1    -0.24   0.09  -0.31     0.00  -0.00   0.01     0.00  -0.00   0.01
    18   1     0.28   0.19  -0.18    -0.02  -0.01   0.01    -0.01  -0.00   0.01
    19   1     0.18  -0.00   0.10     0.16   0.02   0.42     0.06   0.01   0.18
    20   1    -0.22   0.09   0.02     0.18   0.42   0.01     0.07   0.18   0.01
    21   1     0.02  -0.02  -0.01    -0.03  -0.00   0.01    -0.05  -0.03   0.00
    22   1     0.04  -0.01  -0.00    -0.07  -0.05  -0.30    -0.19   0.13   0.44
    23   1    -0.02   0.04   0.01     0.09  -0.38  -0.07     0.21   0.22  -0.04
    24   1     0.00   0.04  -0.04     0.16   0.04   0.19    -0.12  -0.35   0.18
    25   1    -0.03  -0.02  -0.01    -0.10   0.10  -0.24    -0.30  -0.15  -0.17
    26   1     0.01   0.01   0.00    -0.35   0.08   0.08     0.14   0.21   0.03
    27   1     0.02  -0.02  -0.04     0.02  -0.16   0.18     0.15  -0.18  -0.38
    28   1    -0.35  -0.09   0.00     0.01   0.00   0.00     0.00  -0.00  -0.00
    29   6    -0.01  -0.01  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.01  -0.04   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.03   0.01   0.02     0.00   0.00  -0.00    -0.02   0.01  -0.02
    32   1     0.08   0.03   0.01    -0.01  -0.00   0.00    -0.02   0.01   0.01
    33   1    -0.01   0.06  -0.04    -0.00  -0.00   0.01     0.01  -0.02  -0.01
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.2168              1497.6543              1498.9530
 Red. masses --      1.0465                 1.0756                 1.0553
 Frc consts  --      1.3730                 1.4214                 1.3970
 IR Inten    --      5.0106                 3.7138                 8.1044
 RamAct Fr= 1--      5.9900                 2.5747                 6.2222
  Dep-P Fr= 1--      0.6179                 0.7499                 0.6780
  Dep-U Fr= 1--      0.7638                 0.8571                 0.8081
 Alpha2 Fr= 1--      0.0145                 0.0000                 0.0079
 Beta2  Fr= 1--      0.7625                 0.3678                 0.8380
 AlphaG Fr= 1--      0.0007                -0.0005                 0.0708
 Gamma2 Fr= 1--     -0.6516                -1.4277                 1.8658
 Delta2 Fr= 1--     -1.5218                 0.1938                 1.7811
 Raman1 Fr= 1--      23.960                 10.299                 24.889
 ROA1   Fr= 1--    -111.256               -130.856                236.109
 CID1   Fr= 1--      -4.643                -12.706                  9.487
 Raman2 Fr= 1--       9.150                  4.414                 10.056
 ROA2   Fr= 1--      -3.465                -35.815                 30.529
 CID2   Fr= 1--      -0.379                 -8.115                  3.036
 Raman3 Fr= 1--      18.301                  8.827                 20.112
 ROA3   Fr= 1--    -111.256               -130.856                236.109
 CID3   Fr= 1--      -6.079                -14.824                 11.740
 RC180  Fr= 1--       0.528                  0.714                  0.616
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.01  -0.00  -0.00     0.01  -0.00  -0.01    -0.00  -0.00   0.01
     3   6     0.01   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.01  -0.01    -0.01  -0.00   0.00
     5   6     0.01  -0.00   0.01    -0.01  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.01   0.00   0.00     0.00   0.00  -0.00
     7   6     0.00   0.00   0.00    -0.03  -0.03  -0.04     0.00   0.01   0.00
     8   6     0.00   0.00  -0.00    -0.02  -0.02   0.00     0.00   0.00  -0.00
     9   6    -0.00   0.00  -0.00     0.01  -0.02   0.01    -0.00   0.00  -0.00
    10   6     0.00   0.00   0.00    -0.03   0.01  -0.00     0.00  -0.00   0.00
    11   6    -0.02   0.00  -0.01     0.00  -0.00  -0.00     0.02  -0.01  -0.03
    12   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    13   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    14   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.02  -0.00  -0.01     0.01  -0.00   0.01     0.00   0.00  -0.00
    16   1    -0.03  -0.02   0.01    -0.00  -0.00   0.00     0.01   0.01  -0.00
    17   1    -0.01  -0.00  -0.01     0.01  -0.00   0.01     0.00   0.01   0.01
    18   1    -0.02  -0.01   0.00    -0.03  -0.01   0.01     0.01   0.00  -0.01
    19   1     0.00   0.00  -0.00     0.10   0.04   0.45    -0.01  -0.01  -0.06
    20   1     0.00   0.00   0.00     0.18   0.42   0.01    -0.03  -0.06  -0.00
    21   1    -0.00  -0.00  -0.00     0.03   0.07   0.01    -0.00  -0.01  -0.00
    22   1    -0.01   0.01   0.02     0.20  -0.04  -0.01    -0.01   0.00   0.01
    23   1     0.01   0.01  -0.00    -0.20   0.19   0.08     0.02  -0.01  -0.01
    24   1    -0.00  -0.02   0.01    -0.05   0.19  -0.26     0.00  -0.02   0.02
    25   1    -0.02  -0.00  -0.01     0.12  -0.12   0.29    -0.02   0.02  -0.04
    26   1    -0.00   0.01   0.00     0.35  -0.15  -0.10    -0.05   0.02   0.02
    27   1     0.01  -0.01  -0.01    -0.03   0.16  -0.16     0.01  -0.03   0.02
    28   1     0.04   0.06   0.00     0.01   0.01   0.00    -0.06   0.07   0.04
    29   6    -0.04   0.00  -0.03     0.00   0.00  -0.01     0.03   0.01  -0.04
    30   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.02   0.01
    31   1     0.48  -0.17   0.48     0.04   0.04   0.01     0.22   0.32   0.00
    32   1     0.33  -0.28  -0.27    -0.07  -0.03  -0.01    -0.60  -0.18   0.00
    33   1    -0.17   0.35   0.28    -0.02  -0.02   0.08    -0.12  -0.24   0.60
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1504.3647              1511.1715              1551.6598
 Red. masses --      1.0528                 1.0511                 2.4478
 Frc consts  --      1.4038                 1.4142                 3.4724
 IR Inten    --      4.8214                12.3630                25.9715
 RamAct Fr= 1--     11.2614                 0.9168                 0.5101
  Dep-P Fr= 1--      0.7276                 0.5647                 0.6564
  Dep-U Fr= 1--      0.8423                 0.7218                 0.7926
 Alpha2 Fr= 1--      0.0043                 0.0032                 0.0009
 Beta2  Fr= 1--      1.5810                 0.1103                 0.0674
 AlphaG Fr= 1--     -0.0119                 0.0029                -0.0027
 Gamma2 Fr= 1--      0.9841                 1.7454                -0.5038
 Delta2 Fr= 1--     -0.1763                 0.3791                 0.0442
 Raman1 Fr= 1--      45.046                  3.667                  2.040
 ROA1   Fr= 1--      88.834                179.687                -46.954
 CID1   Fr= 1--       1.972                 48.997                -23.013
 Raman2 Fr= 1--      18.972                  1.324                  0.809
 ROA2   Fr= 1--      25.029                 38.856                -12.446
 CID2   Fr= 1--       1.319                 29.357                -15.392
 Raman3 Fr= 1--      37.943                  2.647                  1.617
 ROA3   Fr= 1--      88.834                179.687                -46.954
 CID3   Fr= 1--       2.341                 67.881                -29.035
 RC180  Fr= 1--       0.685                  0.444                  0.585
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.08   0.04  -0.11
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.15   0.03   0.04
     3   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.10  -0.07   0.07
     4   6    -0.00  -0.00   0.01     0.00  -0.00   0.00     0.15   0.03   0.03
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.09   0.03  -0.11
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.10  -0.07   0.07
     7   6     0.00  -0.01  -0.00    -0.01  -0.01  -0.01    -0.03  -0.01  -0.01
     8   6    -0.03   0.03  -0.01     0.02  -0.02  -0.03    -0.00   0.00   0.00
     9   6     0.00   0.03  -0.01     0.01  -0.01  -0.02     0.00  -0.00  -0.00
    10   6    -0.03  -0.01  -0.01     0.01  -0.01  -0.03     0.00   0.00   0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.03  -0.01  -0.01
    12   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    13   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.01   0.00  -0.01     0.00  -0.00   0.00     0.39  -0.01   0.24
    16   1     0.00   0.00  -0.00     0.01   0.00  -0.00     0.41   0.17  -0.05
    17   1     0.00   0.00  -0.00     0.01   0.00   0.00     0.41  -0.01   0.27
    18   1     0.01   0.01  -0.00     0.01   0.00  -0.01     0.41   0.16  -0.05
    19   1     0.03  -0.01   0.01     0.05   0.01   0.12    -0.04  -0.01  -0.03
    20   1    -0.04   0.04   0.01     0.03   0.12   0.01    -0.03  -0.03  -0.01
    21   1     0.02  -0.03  -0.03    -0.06   0.07  -0.01     0.01  -0.00   0.00
    22   1    -0.31   0.06  -0.06    -0.06   0.10   0.41    -0.00  -0.00  -0.01
    23   1     0.28  -0.35  -0.12     0.09   0.33   0.01    -0.00  -0.01  -0.00
    24   1     0.11  -0.26   0.40    -0.17  -0.22  -0.00     0.01   0.01   0.00
    25   1     0.26  -0.05   0.35     0.28   0.23   0.06    -0.02  -0.01  -0.01
    26   1     0.32  -0.20  -0.11    -0.32  -0.21  -0.00     0.00   0.01   0.00
    27   1    -0.10   0.28  -0.02    -0.14   0.10   0.50     0.01  -0.01  -0.01
    28   1    -0.01  -0.00   0.00    -0.00  -0.00  -0.00    -0.03   0.00   0.00
    29   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.01   0.00
    31   1     0.01   0.01   0.00     0.00  -0.00   0.00     0.05  -0.01   0.04
    32   1    -0.02  -0.00   0.00     0.00   0.00  -0.00     0.04  -0.02  -0.02
    33   1    -0.00  -0.01   0.02    -0.00   0.00  -0.00    -0.02   0.06   0.02
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1618.0913              1658.1602              1805.8331
 Red. masses --      6.0212                 5.7997                 9.5442
 Frc consts  --      9.2884                 9.3952                18.3378
 IR Inten    --      0.0360                 1.3109               271.9561
 RamAct Fr= 1--      2.0277               117.0054                14.4335
  Dep-P Fr= 1--      0.6993                 0.4769                 0.1608
  Dep-U Fr= 1--      0.8230                 0.6458                 0.2770
 Alpha2 Fr= 1--      0.0018                 0.6411                 0.2171
 Beta2  Fr= 1--      0.2781                12.5938                 0.6663
 AlphaG Fr= 1--      0.0224                -0.2531                -0.3764
 Gamma2 Fr= 1--      0.4108                -0.7963                -1.1122
 Delta2 Fr= 1--      0.0399                 0.4613                 0.9069
 Raman1 Fr= 1--       8.111                468.021                 57.734
 ROA1   Fr= 1--      40.714                -61.684                -77.754
 CID1   Fr= 1--       5.020                 -0.132                 -1.347
 Raman2 Fr= 1--       3.338                151.126                  7.996
 ROA2   Fr= 1--       9.540                -22.802                -33.949
 CID2   Fr= 1--       2.858                 -0.151                 -4.246
 Raman3 Fr= 1--       6.675                302.252                 15.992
 ROA3   Fr= 1--      40.714                -61.684                -77.754
 CID3   Fr= 1--       6.099                 -0.204                 -4.862
 RC180  Fr= 1--       0.646                  0.292                 -0.446
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.09   0.20     0.27   0.01   0.13     0.01   0.00   0.00
     2   6     0.03   0.18  -0.29    -0.20  -0.04  -0.04    -0.00  -0.00   0.00
     3   6     0.11   0.13  -0.16    -0.28  -0.09   0.00    -0.01  -0.00   0.00
     4   6    -0.03  -0.18   0.30     0.18   0.04   0.04     0.02   0.01   0.00
     5   6    -0.08   0.09  -0.20    -0.26  -0.02  -0.13    -0.01  -0.00  -0.00
     6   6    -0.11  -0.12   0.16     0.29   0.10  -0.00     0.01   0.00  -0.00
     7   6    -0.01  -0.02   0.03     0.03   0.01   0.01     0.00   0.00   0.00
     8   6    -0.00  -0.01   0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
     9   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6     0.02   0.02  -0.03    -0.02  -0.01  -0.01     0.02   0.01  -0.05
    12   6    -0.00   0.01   0.01     0.00   0.02  -0.01    -0.27  -0.32   0.57
    13   8     0.00   0.00  -0.00    -0.00  -0.01   0.01     0.15   0.23  -0.35
    14   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.02   0.03  -0.05
    15   1    -0.29  -0.05  -0.08    -0.25   0.08  -0.27    -0.00   0.00  -0.01
    16   1    -0.28  -0.06  -0.07     0.28   0.17  -0.14     0.02   0.01  -0.01
    17   1     0.31   0.06   0.09     0.25  -0.07   0.29    -0.03   0.01  -0.00
    18   1     0.29   0.06   0.06    -0.29  -0.17   0.15    -0.01  -0.01   0.00
    19   1    -0.16   0.01  -0.01     0.03   0.00  -0.01     0.00   0.00  -0.00
    20   1     0.24   0.03  -0.01     0.01  -0.01   0.01    -0.00  -0.00   0.00
    21   1     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.00   0.00  -0.00
    22   1     0.02  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    23   1    -0.02   0.01   0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    24   1    -0.01   0.01  -0.02    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00
    25   1    -0.01  -0.00  -0.01     0.01   0.01  -0.00    -0.00   0.00  -0.00
    26   1     0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    27   1     0.00  -0.01  -0.01    -0.00   0.00   0.01     0.00  -0.00   0.00
    28   1    -0.27  -0.07  -0.01    -0.02   0.00   0.01     0.17  -0.09  -0.13
    29   6     0.00  -0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.01   0.00
    30   1     0.00  -0.01   0.01     0.00   0.00  -0.00     0.03  -0.44   0.16
    31   1     0.02   0.01   0.01     0.02   0.01   0.01     0.03   0.11  -0.02
    32   1    -0.01  -0.02  -0.01     0.02   0.00   0.00    -0.04   0.02   0.04
    33   1    -0.01   0.00   0.02    -0.01   0.03   0.00    -0.03   0.01   0.03
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3002.8381              3018.7397              3020.5420
 Red. masses --      1.0813                 1.0504                 1.0403
 Frc consts  --      5.7446                 5.6395                 5.5920
 IR Inten    --      3.9828                 8.8475                41.8534
 RamAct Fr= 1--    136.6874                13.9818                24.4948
  Dep-P Fr= 1--      0.2073                 0.6406                 0.2949
  Dep-U Fr= 1--      0.3434                 0.7809                 0.4555
 Alpha2 Fr= 1--      1.8206                 0.0276                 0.2551
 Beta2  Fr= 1--      7.8232                 1.8198                 1.8595
 AlphaG Fr= 1--     -0.9872                -0.0731                 0.1358
 Gamma2 Fr= 1--    -10.6383                 3.5945                -0.7721
 Delta2 Fr= 1--     -6.2105                 2.5200                 3.4752
 Raman1 Fr= 1--     546.750                 55.927                 97.979
 ROA1   Fr= 1--   -1220.008                425.712                 37.085
 CID1   Fr= 1--      -2.231                  7.612                  0.378
 Raman2 Fr= 1--      93.878                 21.838                 22.314
 ROA2   Fr= 1--    -205.634                 66.107                -46.332
 CID2   Fr= 1--      -2.190                  3.027                 -2.076
 Raman3 Fr= 1--     187.756                 43.675                 44.628
 ROA3   Fr= 1--   -1220.008                425.712                 37.085
 CID3   Fr= 1--      -6.498                  9.747                  0.831
 RC180  Fr= 1--      -0.313                  0.562                 -0.089
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.02    -0.02  -0.04  -0.03     0.01   0.02   0.02
     8   6    -0.01   0.01  -0.08    -0.00   0.00  -0.01    -0.00  -0.00   0.00
     9   6    -0.00  -0.00   0.01     0.03   0.01   0.01     0.03   0.01   0.01
    10   6     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.03  -0.02
    11   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    15   1     0.01   0.01  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    18   1     0.00  -0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    19   1     0.00  -0.01   0.01     0.12   0.54  -0.12    -0.06  -0.25   0.06
    20   1    -0.04   0.04  -0.23     0.08  -0.10   0.52    -0.04   0.05  -0.26
    21   1     0.18  -0.15   0.91     0.02  -0.01   0.09     0.00   0.00  -0.00
    22   1     0.00   0.04  -0.01    -0.04  -0.32   0.08    -0.04  -0.29   0.07
    23   1    -0.03   0.02  -0.12    -0.09   0.06  -0.41    -0.08   0.06  -0.39
    24   1     0.02  -0.02  -0.02    -0.18   0.16   0.16    -0.19   0.16   0.17
    25   1     0.01  -0.00  -0.00    -0.01   0.01   0.01     0.23  -0.19  -0.20
    26   1    -0.03   0.03  -0.17    -0.01   0.01  -0.07     0.10  -0.10   0.53
    27   1    -0.00   0.00   0.00     0.02   0.01   0.01    -0.27  -0.07  -0.07
    28   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    29   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3026.9179              3047.2492              3056.6274
 Red. masses --      1.0435                 1.0356                 1.1034
 Frc consts  --      5.6333                 5.6656                 6.0740
 IR Inten    --     47.8978                23.7571                15.4242
 RamAct Fr= 1--    413.8010               209.3304                29.1091
  Dep-P Fr= 1--      0.0078                 0.0609                 0.7300
  Dep-U Fr= 1--      0.0154                 0.1148                 0.8440
 Alpha2 Fr= 1--      9.0304                 4.0288                 0.0100
 Beta2  Fr= 1--      1.0619                 4.0048                 4.0945
 AlphaG Fr= 1--      1.0244                -0.3018                 0.1044
 Gamma2 Fr= 1--      1.5807                -0.0886                 0.5156
 Delta2 Fr= 1--     -0.1565                 3.5618                -1.8738
 Raman1 Fr= 1--    1655.204                837.322                116.436
 ROA1   Fr= 1--     146.741                105.466                -10.462
 CID1   Fr= 1--       0.089                  0.126                 -0.090
 Raman2 Fr= 1--      12.742                 48.057                 49.134
 ROA2   Fr= 1--      39.189                -30.622                 27.365
 CID2   Fr= 1--       3.075                 -0.637                  0.557
 Raman3 Fr= 1--      25.485                 96.115                 98.267
 ROA3   Fr= 1--     146.741                105.466                -10.462
 CID3   Fr= 1--       5.758                  1.097                 -0.106
 RC180  Fr= 1--      -0.969                 -0.770                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.01  -0.03  -0.02     0.00   0.00  -0.00     0.00   0.06  -0.07
     8   6    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.01
     9   6    -0.02  -0.01  -0.01     0.00   0.00   0.00    -0.00  -0.01   0.01
    10   6    -0.00   0.03  -0.02    -0.00  -0.00   0.00    -0.00   0.00   0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.01  -0.01
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.01   0.00  -0.01
    19   1     0.08   0.35  -0.07    -0.00  -0.00   0.00    -0.15  -0.64   0.12
    20   1     0.04  -0.05   0.26    -0.00   0.00  -0.00     0.12  -0.10   0.68
    21   1     0.03  -0.03   0.17    -0.00   0.00  -0.00     0.02  -0.02   0.13
    22   1     0.04   0.30  -0.07    -0.00  -0.00   0.00     0.01   0.12  -0.02
    23   1     0.07  -0.05   0.33    -0.00   0.00  -0.00    -0.02   0.01  -0.10
    24   1     0.18  -0.16  -0.16    -0.00   0.00   0.00     0.02  -0.02  -0.02
    25   1     0.22  -0.19  -0.20     0.00  -0.00  -0.00     0.05  -0.04  -0.04
    26   1     0.09  -0.09   0.48    -0.00   0.00  -0.00    -0.01   0.01  -0.04
    27   1    -0.28  -0.08  -0.07     0.00   0.00   0.00    -0.04  -0.01  -0.01
    28   1     0.00  -0.00   0.00    -0.01   0.02  -0.03     0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00    -0.02  -0.04  -0.02     0.00   0.00   0.00
    30   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    31   1    -0.00   0.00   0.00    -0.36   0.18   0.42     0.00  -0.00  -0.00
    32   1    -0.00   0.00  -0.00    -0.09   0.23  -0.38     0.00  -0.00   0.00
    33   1     0.00   0.00   0.00     0.64   0.10   0.18    -0.00  -0.00  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3070.7238              3077.9382              3084.3837
 Red. masses --      1.0840                 1.0995                 1.0994
 Frc consts  --      6.0222                 6.1369                 6.1622
 IR Inten    --      6.9378                10.1333                56.3896
 RamAct Fr= 1--     68.2829                23.0957               115.3814
  Dep-P Fr= 1--      0.2053                 0.7314                 0.4549
  Dep-U Fr= 1--      0.3406                 0.8449                 0.6254
 Alpha2 Fr= 1--      0.9144                 0.0073                 0.6933
 Beta2  Fr= 1--      3.8765                 3.2522                12.0258
 AlphaG Fr= 1--     -0.3703                 0.0389                 1.2334
 Gamma2 Fr= 1--     -3.4366                 8.8880                -4.6483
 Delta2 Fr= 1--     -1.8771                -4.5661                16.5150
 Raman1 Fr= 1--     273.132                 92.383                461.525
 ROA1   Fr= 1--    -389.986                707.135                 82.242
 CID1   Fr= 1--      -1.428                  7.654                  0.178
 Raman2 Fr= 1--      46.518                 39.027                144.310
 ROA2   Fr= 1--     -67.463                249.841               -243.679
 CID2   Fr= 1--      -1.450                  6.402                 -1.689
 Raman3 Fr= 1--      93.035                 78.054                288.620
 ROA3   Fr= 1--    -389.986                707.135                 82.242
 CID3   Fr= 1--      -4.192                  9.060                  0.285
 RC180  Fr= 1--      -0.319                  0.690                  0.251
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.01   0.01
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.02
     9   6     0.00  -0.00   0.00     0.01   0.02  -0.07    -0.00  -0.04   0.05
    10   6    -0.00   0.00   0.00    -0.01   0.02   0.06    -0.01   0.02   0.06
    11   6    -0.02   0.04  -0.07     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.00   0.01
    16   1    -0.01   0.01  -0.02     0.00  -0.00   0.00    -0.00   0.00  -0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    18   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    19   1    -0.00  -0.00   0.00    -0.01  -0.03   0.00     0.02   0.09  -0.02
    20   1    -0.00   0.00  -0.00     0.00  -0.01   0.03    -0.02   0.01  -0.11
    21   1    -0.00   0.00  -0.00     0.01  -0.00   0.03    -0.04   0.03  -0.19
    22   1     0.00   0.00  -0.00    -0.05  -0.35   0.07     0.07   0.47  -0.10
    23   1    -0.00   0.00  -0.00     0.12  -0.07   0.53    -0.10   0.05  -0.43
    24   1     0.00  -0.00  -0.00    -0.23   0.21   0.19     0.06  -0.05  -0.04
    25   1     0.00  -0.00  -0.00     0.32  -0.27  -0.27     0.34  -0.29  -0.28
    26   1    -0.00   0.00  -0.00    -0.07   0.08  -0.38    -0.08   0.09  -0.42
    27   1     0.00   0.00   0.00    -0.17  -0.04  -0.02    -0.15  -0.04  -0.02
    28   1     0.21  -0.50   0.82    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    29   6     0.00  -0.01   0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    31   1     0.01  -0.00  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.03   0.08  -0.14     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   1    -0.04  -0.01  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3089.9394              3103.6399              3110.8121
 Red. masses --      1.1014                 1.1002                 1.1023
 Frc consts  --      6.1956                 6.2441                 6.2850
 IR Inten    --     42.6232                33.7686                27.5861
 RamAct Fr= 1--    123.7472                55.1568               101.5461
  Dep-P Fr= 1--      0.6602                 0.7070                 0.6832
  Dep-U Fr= 1--      0.7954                 0.8283                 0.8118
 Alpha2 Fr= 1--      0.1982                 0.0412                 0.1194
 Beta2  Fr= 1--     16.4038                 7.6147                13.7389
 AlphaG Fr= 1--      0.1962                 0.1154                 0.0752
 Gamma2 Fr= 1--     -4.2236                 9.3775                -2.1937
 Delta2 Fr= 1--     -9.2085                -0.2423                -4.3351
 Raman1 Fr= 1--     494.989                220.627                406.185
 ROA1   Fr= 1--    -700.137                892.490               -349.319
 CID1   Fr= 1--      -1.414                  4.045                 -0.860
 Raman2 Fr= 1--     196.846                 91.376                164.867
 ROA2   Fr= 1--     -27.697                227.000                -17.969
 CID2   Fr= 1--      -0.141                  2.484                 -0.109
 Raman3 Fr= 1--     393.691                182.752                329.734
 ROA3   Fr= 1--    -700.137                892.490               -349.319
 CID3   Fr= 1--      -1.778                  4.884                 -1.059
 RC180  Fr= 1--       0.591                  0.657                  0.624
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9   6     0.03  -0.08  -0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   6    -0.00  -0.01  -0.02    -0.09   0.00  -0.01     0.00  -0.00   0.00
    11   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    14   8     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1     0.00   0.02  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   1    -0.00  -0.00   0.01     0.00  -0.00   0.01    -0.00   0.00  -0.00
    21   1     0.01  -0.01   0.05     0.01  -0.01   0.03    -0.00   0.00  -0.00
    22   1     0.08   0.55  -0.14    -0.00  -0.02   0.01    -0.00  -0.00   0.00
    23   1     0.04  -0.04   0.11     0.00   0.00   0.01    -0.00   0.00  -0.00
    24   1    -0.50   0.42   0.43     0.02  -0.02  -0.02    -0.00   0.00   0.00
    25   1    -0.09   0.08   0.08     0.26  -0.24  -0.25    -0.00   0.00   0.00
    26   1     0.02  -0.03   0.13     0.01  -0.03   0.17    -0.00   0.00  -0.00
    27   1     0.09   0.02   0.02     0.82   0.25   0.19    -0.01  -0.00  -0.00
    28   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.03   0.04
    29   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.09   0.02   0.01
    30   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    31   1    -0.00   0.00   0.00     0.01  -0.00  -0.01     0.41  -0.22  -0.50
    32   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.10   0.16
    33   1     0.00   0.00   0.00     0.01   0.00   0.00     0.66   0.12   0.20
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3130.0229              3157.0497              3164.7600
 Red. masses --      1.1013                 1.0867                 1.0875
 Frc consts  --      6.3569                 6.3813                 6.4175
 IR Inten    --     12.6950                11.6722                11.0028
 RamAct Fr= 1--     27.7796                55.0955                52.0906
  Dep-P Fr= 1--      0.6694                 0.6894                 0.5934
  Dep-U Fr= 1--      0.8020                 0.8162                 0.7448
 Alpha2 Fr= 1--      0.0397                 0.0585                 0.1517
 Beta2  Fr= 1--      3.7130                 7.4946                 6.4663
 AlphaG Fr= 1--     -0.0193                -0.0482                 0.2200
 Gamma2 Fr= 1--      0.2356                -2.8962                 3.4322
 Delta2 Fr= 1--      2.0571                 2.5591                 0.7573
 Raman1 Fr= 1--     111.118                220.382                208.362
 ROA1   Fr= 1--      88.448               -196.143                353.723
 CID1   Fr= 1--       0.796                 -0.890                  1.698
 Raman2 Fr= 1--      44.556                 89.936                 77.596
 ROA2   Fr= 1--     -10.802                -89.981                 76.315
 CID2   Fr= 1--      -0.242                 -1.001                  0.983
 Raman3 Fr= 1--      89.112                179.871                155.191
 ROA3   Fr= 1--      88.448               -196.143                353.723
 CID3   Fr= 1--       0.993                 -1.090                  2.279
 RC180  Fr= 1--       0.604                  0.632                  0.490
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.04   0.04  -0.04     0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.02  -0.02   0.04    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.02   0.03
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.03   0.03  -0.07
     7   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     9   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.00   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.00  -0.00   0.00    -0.45  -0.44   0.51    -0.04  -0.03   0.04
    16   1    -0.01   0.01  -0.02    -0.22   0.21  -0.50     0.01  -0.01   0.03
    17   1     0.02   0.02  -0.02    -0.02  -0.02   0.02     0.25   0.24  -0.29
    18   1     0.00  -0.00   0.01    -0.01   0.01  -0.02     0.34  -0.31   0.76
    19   1    -0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    20   1     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.00   0.02
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
    22   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    24   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    27   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
    28   1     0.03  -0.08   0.13    -0.01   0.01  -0.02     0.00   0.00  -0.00
    29   6    -0.01   0.02  -0.09     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    31   1    -0.28   0.15   0.31     0.00  -0.00  -0.00     0.01  -0.00  -0.01
    32   1     0.16  -0.45   0.71    -0.00   0.01  -0.01    -0.00   0.01  -0.02
    33   1     0.18   0.04   0.04    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3174.9896              3184.5904              3723.2376
 Red. masses --      1.0936                 1.0934                 1.0639
 Frc consts  --      6.4953                 6.5334                 8.6897
 IR Inten    --     16.3939                 3.7423                65.8122
 RamAct Fr= 1--    126.2792               126.4181               116.4025
  Dep-P Fr= 1--      0.1464                 0.1236                 0.2421
  Dep-U Fr= 1--      0.2554                 0.2201                 0.3898
 Alpha2 Fr= 1--      1.9700                 2.0881                 1.4103
 Beta2  Fr= 1--      5.3753                 4.6365                 7.5629
 AlphaG Fr= 1--     -0.9089                 0.1852                -0.3345
 Gamma2 Fr= 1--     -5.9057                 4.9723                -6.0319
 Delta2 Fr= 1--     -2.1031                 1.1339                 0.1438
 Raman1 Fr= 1--     505.117                505.673                465.610
 ROA1   Fr= 1--    -634.250                513.628               -574.465
 CID1   Fr= 1--      -1.256                  1.016                 -1.234
 Raman2 Fr= 1--      64.504                 55.638                 90.755
 ROA2   Fr= 1--    -124.913                110.265               -145.917
 CID2   Fr= 1--      -1.937                  1.982                 -1.608
 Raman3 Fr= 1--     129.008                111.276                181.509
 ROA3   Fr= 1--    -634.250                513.628               -574.465
 CID3   Fr= 1--      -4.916                  4.616                 -3.165
 RC180  Fr= 1--      -0.489                 -0.560                 -0.220
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.03   0.02  -0.06     0.00  -0.00   0.01     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.01   0.01  -0.01     0.04   0.04  -0.05    -0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.02   0.01  -0.03     0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    10   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.03  -0.02  -0.05
    15   1    -0.32  -0.31   0.36     0.04   0.04  -0.05    -0.00  -0.00   0.00
    16   1     0.31  -0.29   0.68    -0.03   0.03  -0.06     0.00  -0.00   0.00
    17   1    -0.07  -0.06   0.08    -0.49  -0.47   0.56     0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.01     0.18  -0.16   0.39    -0.00   0.00  -0.00
    19   1    -0.00  -0.01   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    20   1    -0.00  -0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.00
    21   1     0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    27   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    28   1     0.01  -0.01   0.02    -0.00   0.00  -0.00    -0.00   0.00   0.00
    29   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.55   0.31   0.78
    31   1    -0.00   0.00   0.00    -0.00   0.00   0.01    -0.00  -0.00   0.00
    32   1     0.00  -0.01   0.01     0.00  -0.01   0.02     0.00  -0.00  -0.00
    33   1     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1144.562897350.353507530.72542
           X            0.99997   0.00313   0.00765
           Y           -0.00333   0.99963   0.02716
           Z           -0.00756  -0.02718   0.99960
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.07567     0.01178     0.01150
 Rotational constants (GHZ):           1.57680     0.24553     0.23965
 Zero-point vibrational energy     745948.1 (Joules/Mol)
                                  178.28587 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     33.97    54.75    64.53    79.94    87.85
          (Kelvin)            146.58   238.82   308.98   322.63   327.97
                              339.30   366.42   428.88   444.68   515.18
                              551.50   589.30   602.58   610.55   687.40
                              734.71   851.41   888.82   923.55   957.49
                             1028.79  1096.74  1148.54  1189.54  1209.73
                             1226.52  1232.23  1257.52  1291.66  1346.66
                             1373.45  1382.05  1398.16  1407.41  1460.07
                             1505.26  1559.64  1578.69  1592.72  1637.82
                             1652.25  1671.15  1717.70  1743.67  1757.97
                             1779.01  1796.68  1842.12  1884.12  1897.40
                             1941.52  1961.85  1974.27  1977.74  2003.64
                             2019.30  2037.30  2047.71  2100.80  2137.23
                             2143.86  2146.97  2154.79  2156.66  2164.45
                             2174.24  2232.49  2328.07  2385.72  2598.19
                             4320.41  4343.29  4345.89  4355.06  4384.31
                             4397.81  4418.09  4428.47  4437.74  4445.73
                             4465.45  4475.76  4503.40  4542.29  4553.38
                             4568.10  4581.92  5356.91
 
 Zero-point correction=                           0.284117 (Hartree/Particle)
 Thermal correction to Energy=                    0.299820
 Thermal correction to Enthalpy=                  0.300764
 Thermal correction to Gibbs Free Energy=         0.239319
 Sum of electronic and zero-point Energies=           -656.740229
 Sum of electronic and thermal Energies=              -656.724525
 Sum of electronic and thermal Enthalpies=            -656.723581
 Sum of electronic and thermal Free Energies=         -656.785027
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.140             58.746            129.323
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.516
 Vibrational            186.363             52.784             54.933
 Vibration     1          0.593              1.985              6.305
 Vibration     2          0.594              1.982              5.358
 Vibration     3          0.595              1.979              5.032
 Vibration     4          0.596              1.975              4.609
 Vibration     5          0.597              1.973              4.423
 Vibration     6          0.604              1.948              3.418
 Vibration     7          0.624              1.884              2.480
 Vibration     8          0.645              1.819              2.003
 Vibration     9          0.649              1.804              1.925
 Vibration    10          0.651              1.798              1.895
 Vibration    11          0.655              1.786              1.834
 Vibration    12          0.665              1.755              1.698
 Vibration    13          0.691              1.677              1.428
 Vibration    14          0.698              1.656              1.367
 Vibration    15          0.733              1.559              1.130
 Vibration    16          0.753              1.506              1.026
 Vibration    17          0.774              1.449              0.928
 Vibration    18          0.782              1.429              0.896
 Vibration    19          0.786              1.417              0.877
 Vibration    20          0.834              1.299              0.716
 Vibration    21          0.866              1.226              0.632
 Vibration    22          0.949              1.049              0.464
 Vibration    23          0.978              0.994              0.420
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.833919-110       -110.078876       -253.465979
 Total V=0       0.403258D+21         20.605583         47.446109
 Vib (Bot)       0.251604-124       -124.599282       -286.900449
 Vib (Bot)    1  0.877267D+01          0.943132          2.171641
 Vib (Bot)    2  0.543778D+01          0.735422          1.693372
 Vib (Bot)    3  0.461103D+01          0.663798          1.528452
 Vib (Bot)    4  0.371858D+01          0.570377          1.313342
 Vib (Bot)    5  0.338156D+01          0.529116          1.218336
 Vib (Bot)    6  0.201367D+01          0.303989          0.699960
 Vib (Bot)    7  0.121568D+01          0.084819          0.195304
 Vib (Bot)    8  0.923097D+00         -0.034753         -0.080021
 Vib (Bot)    9  0.880525D+00         -0.055258         -0.127237
 Vib (Bot)   10  0.864820D+00         -0.063074         -0.145234
 Vib (Bot)   11  0.833041D+00         -0.079334         -0.182672
 Vib (Bot)   12  0.764640D+00         -0.116543         -0.268350
 Vib (Bot)   13  0.638682D+00         -0.194715         -0.448348
 Vib (Bot)   14  0.612139D+00         -0.213150         -0.490797
 Vib (Bot)   15  0.512542D+00         -0.290270         -0.668372
 Vib (Bot)   16  0.470599D+00         -0.327349         -0.753749
 Vib (Bot)   17  0.432090D+00         -0.364426         -0.839122
 Vib (Bot)   18  0.419631D+00         -0.377132         -0.868379
 Vib (Bot)   19  0.412397D+00         -0.384684         -0.885768
 Vib (Bot)   20  0.350731D+00         -0.455026         -1.047736
 Vib (Bot)   21  0.318795D+00         -0.496489         -1.143207
 Vib (Bot)   22  0.254469D+00         -0.594365         -1.368576
 Vib (Bot)   23  0.237284D+00         -0.624731         -1.438496
 Vib (V=0)       0.121668D+07          6.085177         14.011639
 Vib (V=0)    1  0.928691D+01          0.967871          2.228605
 Vib (V=0)    2  0.596072D+01          0.775299          1.785192
 Vib (V=0)    3  0.513806D+01          0.710800          1.636676
 Vib (V=0)    4  0.425204D+01          0.628598          1.447400
 Vib (V=0)    5  0.391832D+01          0.593100          1.365663
 Vib (V=0)    6  0.257482D+01          0.410747          0.945779
 Vib (V=0)    7  0.181449D+01          0.258754          0.595803
 Vib (V=0)    8  0.154981D+01          0.190279          0.438135
 Vib (V=0)    9  0.151258D+01          0.179719          0.413819
 Vib (V=0)   10  0.149896D+01          0.175789          0.404769
 Vib (V=0)   11  0.147157D+01          0.167782          0.386333
 Vib (V=0)   12  0.141360D+01          0.150328          0.346143
 Vib (V=0)   13  0.131112D+01          0.117642          0.270881
 Vib (V=0)   14  0.129039D+01          0.110720          0.254943
 Vib (V=0)   15  0.121603D+01          0.084944          0.195592
 Vib (V=0)   16  0.118663D+01          0.074316          0.171119
 Vib (V=0)   17  0.116083D+01          0.064770          0.149139
 Vib (V=0)   18  0.115276D+01          0.061737          0.142156
 Vib (V=0)   19  0.114813D+01          0.059991          0.138134
 Vib (V=0)   20  0.111075D+01          0.045615          0.105033
 Vib (V=0)   21  0.109298D+01          0.038614          0.088912
 Vib (V=0)   22  0.106103D+01          0.025728          0.059240
 Vib (V=0)   23  0.105345D+01          0.022613          0.052068
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.284930D+07          6.454738         14.862583
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111110000000000                           8665554444444443333333222221111100009999988888877766655444433322222211     
     2        87653109877542210                           051510999986210977641184321964309841776539755429616419172118509532216065432
     3        55570140481777193                           688214982050363352499009622428877465821568462178255282184903898568456216584
 
     X        XXXXXXXXXXXXXXXXX                           XX XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXX XXXXXXXXXXXX XXXX
     X             XXXX   XXX                             X  X           X            XX X X               X XXX                     
     X               XX    XX                             X              X            XX   X                  XX                     
     X                X    X                              X                           XX   X                  XX                     
     X                                                    X                           X    X                  X                      
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000003950    0.000000493    0.000003928
      2        6          -0.000002634   -0.000000818   -0.000001355
      3        6          -0.000004008    0.000002802    0.000001211
      4        6           0.000007275    0.000000242    0.000001003
      5        6          -0.000000338   -0.000002106   -0.000001904
      6        6          -0.000002252    0.000001856    0.000001490
      7        6          -0.000001626    0.000002751    0.000002480
      8        6           0.000001749    0.000002742    0.000000321
      9        6           0.000004305   -0.000003614   -0.000000230
     10        6           0.000000224    0.000000674   -0.000001418
     11        6          -0.000005023   -0.000010681   -0.000004072
     12        6           0.000005907   -0.000007388   -0.000003413
     13        8          -0.000002214    0.000007560    0.000001045
     14        8          -0.000005393    0.000003572    0.000005679
     15        1           0.000000436    0.000000603   -0.000001048
     16        1           0.000000944    0.000000035   -0.000000101
     17        1          -0.000000008    0.000000207    0.000000005
     18        1           0.000000288   -0.000001043   -0.000000583
     19        1          -0.000000674   -0.000000951    0.000000981
     20        1          -0.000000981   -0.000001001   -0.000001355
     21        1          -0.000000234   -0.000003396    0.000001221
     22        1          -0.000000607   -0.000001257    0.000000368
     23        1           0.000000610   -0.000000741    0.000000531
     24        1           0.000002640   -0.000000288   -0.000000386
     25        1           0.000000532   -0.000000777   -0.000001346
     26        1           0.000000225    0.000001887   -0.000000605
     27        1          -0.000001470    0.000000592   -0.000001347
     28        1           0.000002741   -0.000000964    0.000000073
     29        6           0.000000491    0.000004169   -0.000003008
     30        1          -0.000002945    0.000005711    0.000003865
     31        1          -0.000000333   -0.000001169   -0.000000153
     32        1          -0.000001288    0.000000502   -0.000000707
     33        1          -0.000000288   -0.000000206   -0.000001170
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000010681 RMS     0.000002727
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.217262D+03  0.985062D+01  0.354589D+01
      2   0.985062D+01  0.140323D+03 -0.977504D+01
      3   0.354589D+01 -0.977504D+01  0.144036D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.368524D+01  0.384663D+01 -0.511547D+01
      2  -0.335439D+02 -0.287661D+01 -0.476612D+02
      3  -0.846681D+01  0.464327D+02 -0.312208D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.267363D+03 -0.232199D+02 -0.548552D+02
      2   0.127917D+03  0.292105D+02  0.346001D+02
      3   0.139446D+03 -0.599063D+01  0.202551D+02
      4   0.193225D+02 -0.914056D+02  0.515507D+01
      5  -0.520505D+01  0.695722D+01 -0.862703D+02
      6   0.115427D+02  0.370039D+02  0.204264D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.818803D+01  0.153961D+01  0.124651D+01 -0.232592D+01 -0.252747D+00
      2   0.153961D+01 -0.702897D+00  0.639035D+00 -0.252747D+00 -0.373206D+01
      3   0.124651D+01  0.639035D+00 -0.283244D+01 -0.202618D+01  0.638452D+00
                 6             7             8             9            10 
      1  -0.202618D+01  0.124509D+02  0.278617D+00  0.103016D+01 -0.280202D+02
      2   0.638452D+00  0.278617D+00 -0.130118D+01  0.146415D+01 -0.145668D+01
      3   0.632499D+00  0.103016D+01  0.146415D+01  0.114389D+01 -0.243320D+01
                11            12            13            14            15 
      1  -0.145668D+01 -0.243320D+01 -0.313181D+01 -0.386984D+01 -0.204133D+01
      2  -0.190018D+01  0.549096D+00 -0.386984D+01 -0.221306D+01 -0.556552D+00
      3   0.549096D+00 -0.252925D+01 -0.204133D+01 -0.556552D+00 -0.137761D+01
                16            17            18            19            20 
      1  -0.545476D+01 -0.215678D+01 -0.176176D+01 -0.105111D+02 -0.223797D+01
      2  -0.215678D+01 -0.442635D+00 -0.900020D+00 -0.223797D+01  0.224344D+01
      3  -0.176176D+01 -0.900020D+00 -0.958625D+00 -0.149238D+01 -0.154190D+01
                21            22            23            24            25 
      1  -0.149238D+01 -0.946462D+01  0.102372D+00 -0.380034D+00  0.673545D+01
      2  -0.154190D+01  0.102372D+00 -0.242007D+01  0.997056D+00  0.206333D+01
      3   0.426024D+00 -0.380034D+00  0.997056D+00  0.268142D+01 -0.178766D+00
                26            27            28            29            30 
      1   0.206333D+01 -0.178766D+00  0.241886D+02  0.295721D+01  0.275405D+01
      2   0.612624D+00  0.152631D+01  0.295721D+01  0.214900D+01  0.231121D-01
      3   0.152631D+01  0.267763D+01  0.275405D+01  0.231121D-01  0.249428D+01
                31            32            33            34            35 
      1   0.196866D+01  0.368437D+01  0.230421D+01  0.239419D+01  0.252307D+01
      2   0.368437D+01  0.166728D+01  0.130182D+01  0.252307D+01  0.176518D+01
      3   0.230421D+01  0.130182D+01  0.940755D+00  0.235656D+01 -0.477155D+00
                36            37            38            39            40 
      1   0.235656D+01 -0.725462D+01 -0.152314D+01 -0.172901D+01  0.348730D+01
      2  -0.477155D+00 -0.152314D+01  0.909413D-01  0.663970D-01  0.102399D+01
      3   0.800141D+00 -0.172901D+01  0.663970D-01  0.268038D+01  0.167529D+01
                41            42            43            44            45 
      1   0.102399D+01  0.167529D+01 -0.121102D+02 -0.113915D+01 -0.919357D+00
      2   0.353144D+01 -0.931939D+00 -0.113915D+01 -0.244217D+00 -0.783485D+00
      3  -0.931939D+00 -0.624407D+00 -0.919357D+00 -0.783485D+00 -0.161013D+01
                46            47            48            49            50 
      1   0.958464D+01  0.196582D+01  0.153948D+01  0.975766D+01 -0.620206D+00
      2   0.196582D+01 -0.117837D+01  0.565502D+00 -0.620206D+00  0.214847D+01
      3   0.153948D+01  0.565502D+00  0.491937D-01  0.112929D+01 -0.154225D+01
                51            52            53            54            55 
      1   0.112929D+01 -0.645381D+01 -0.145594D+01  0.128522D+00  0.162577D+02
      2  -0.154225D+01 -0.145594D+01 -0.758897D+00 -0.125556D+01 -0.136655D+01
      3  -0.247340D+01  0.128522D+00 -0.125556D+01 -0.260549D+01 -0.330363D+00
                56            57            58            59            60 
      1  -0.136655D+01 -0.330363D+00 -0.463477D+01  0.507181D+01  0.992194D+00
      2   0.221216D+01  0.386197D+00  0.507181D+01  0.552361D+01 -0.365548D+00
      3   0.386197D+00  0.108258D+01  0.992194D+00 -0.365548D+00 -0.925363D+00
                61            62            63            64            65 
      1  -0.617752D+01  0.122070D+01  0.261025D+01 -0.251784D+01  0.429281D+01
      2   0.122070D+01 -0.166273D+01 -0.424337D+00  0.429281D+01 -0.188564D+01
      3   0.261025D+01 -0.424337D+00  0.551966D+01  0.137738D+01 -0.429385D+00
                66            67            68            69            70 
      1   0.137738D+01  0.111037D+02 -0.308871D+01 -0.524774D+00  0.833845D+01
      2  -0.429385D+00 -0.308871D+01 -0.445378D+01  0.720220D+00 -0.787095D+00
      3  -0.205475D+01 -0.524774D+00  0.720220D+00  0.172694D+01 -0.302293D+01
                71            72            73            74            75 
      1  -0.787095D+00 -0.302293D+01 -0.283880D+01 -0.366538D+01 -0.221329D+01
      2   0.151299D+01  0.174529D+01 -0.366538D+01  0.186276D+01  0.586802D+00
      3   0.174529D+01 -0.699139D+01 -0.221329D+01  0.586802D+00  0.274408D+01
                76            77            78            79            80 
      1  -0.550752D+01  0.330867D+01  0.878844D+00 -0.399088D+01  0.778859D+00
      2   0.330867D+01  0.554195D+01 -0.211624D+01  0.778859D+00 -0.231537D+01
      3   0.878844D+00 -0.211624D+01 -0.156041D+01  0.414934D+01 -0.125350D+01
                81            82            83            84            85 
      1   0.414934D+01 -0.350329D+01 -0.415335D+01 -0.270699D+01 -0.522454D+01
      2  -0.125350D+01 -0.415335D+01  0.212195D+01  0.765223D+00  0.208445D+01
      3   0.471043D+01 -0.270699D+01  0.765223D+00  0.173531D+01  0.773451D+00
                86            87            88            89            90 
      1   0.208445D+01  0.773451D+00 -0.389944D+01  0.952796D+00  0.258895D+01
      2   0.248589D+01 -0.143093D+01  0.952796D+00 -0.223986D+01 -0.298238D+01
      3  -0.143093D+01 -0.225963D+01  0.258895D+01 -0.298238D+01  0.454274D+01
                91            92            93            94            95 
      1  -0.278693D+01  0.694645D+00 -0.217647D+00  0.652590D+00 -0.472737D+01
      2   0.694645D+00 -0.200228D+01 -0.630288D+00 -0.472737D+01 -0.368956D+01
      3  -0.217647D+00 -0.630288D+00 -0.156434D+01 -0.221947D+01 -0.262414D+01
                96            97            98            99           100 
      1  -0.221947D+01  0.417272D+01 -0.174090D+01 -0.293491D+01 -0.214921D+01
      2  -0.262414D+01 -0.174090D+01 -0.114371D+01  0.263894D+01 -0.171290D+01
      3   0.176409D+01 -0.293491D+01  0.263894D+01 -0.191490D+01  0.101434D+01
               101           102           103           104           105 
      1  -0.171290D+01  0.101434D+01 -0.305391D+01  0.548996D+00  0.241276D+01
      2  -0.142702D+00  0.107407D+01  0.548996D+00 -0.317609D-01  0.346922D+00
      3   0.107407D+01  0.358448D+00  0.241276D+01  0.346922D+00 -0.319943D+01
               106           107           108           109           110 
      1   0.203904D+01  0.151857D+01 -0.678712D+00  0.490117D+01  0.220946D+01
      2   0.151857D+01  0.766546D+00 -0.242810D+01  0.220946D+01  0.148037D+01
      3  -0.678712D+00 -0.242810D+01  0.169915D+01 -0.314721D+01 -0.865449D+00
               111           112           113           114           115 
      1  -0.314721D+01  0.504920D+01  0.176066D+01 -0.174880D+01 -0.721879D+01
      2  -0.865449D+00  0.176066D+01  0.429371D+01 -0.189929D+01 -0.937215D+00
      3   0.153588D+01 -0.174880D+01 -0.189929D+01  0.269023D+01  0.364294D+01
               116           117           118           119           120 
      1  -0.937215D+00  0.364294D+01 -0.788537D+00 -0.258836D-01  0.193453D+01
      2  -0.287787D+01  0.227488D+01 -0.258836D-01 -0.118162D+01 -0.136928D+01
      3   0.227488D+01 -0.671578D+01  0.193453D+01 -0.136928D+01 -0.140177D+01
               121           122           123           124           125 
      1  -0.222651D+01  0.492610D+00 -0.125818D+01  0.413817D+01 -0.265278D+01
      2   0.492610D+00 -0.423177D+01  0.120212D+01 -0.265278D+01  0.313803D+01
      3  -0.125818D+01  0.120212D+01  0.696256D+00 -0.136837D+01  0.498438D+00
               126           127           128           129           130 
      1  -0.136837D+01 -0.349181D+01 -0.191146D+01  0.186413D+01 -0.225346D+01
      2   0.498438D+00 -0.191146D+01 -0.179606D+01  0.130961D+01 -0.168181D+01
      3   0.279153D+01  0.186413D+01  0.130961D+01 -0.145627D+01  0.176761D+01
               131           132           133           134           135 
      1  -0.168181D+01  0.176761D+01  0.214516D+01  0.151514D+01 -0.197942D+01
      2  -0.244383D+01  0.193990D+01  0.151514D+01  0.250106D+01 -0.240543D+01
      3   0.193990D+01 -0.239250D+01 -0.197942D+01 -0.240543D+01  0.355137D+01
               136           137           138           139           140 
      1   0.204273D+01 -0.631793D+00  0.205192D+01 -0.701224D+00  0.402586D+00
      2  -0.631793D+00  0.454333D+00 -0.643986D+00  0.402586D+00 -0.124724D+01
      3   0.205192D+01 -0.643986D+00  0.224487D+01 -0.893766D+00  0.145820D+01
               141           142           143           144           145 
      1  -0.893766D+00  0.201294D+01 -0.117416D+01  0.254360D+01  0.401840D+01
      2   0.145820D+01 -0.117416D+01  0.196341D+01 -0.269646D+01  0.148763D+01
      3  -0.306639D+01  0.254360D+01 -0.269646D+01  0.666260D+01 -0.163115D+01
               146           147           148           149           150 
      1   0.148763D+01 -0.163115D+01  0.176827D+01  0.125333D+01 -0.143594D+01
      2   0.123885D+01 -0.797846D+00  0.125333D+01  0.156000D+01 -0.136038D+01
      3  -0.797846D+00  0.125166D+01 -0.143594D+01 -0.136038D+01  0.199019D+01
               151           152           153           154           155 
      1  -0.206796D+01 -0.130933D+01  0.178170D+01 -0.182657D+01  0.562519D+00
      2  -0.130933D+01 -0.195338D+01  0.181255D+01  0.562519D+00 -0.305290D+00
      3   0.178170D+01  0.181255D+01 -0.334087D+01 -0.186544D+01  0.457834D+00
               156           157           158           159           160 
      1  -0.186544D+01  0.340486D+00 -0.317291D+00  0.682793D+00 -0.240372D+01
      2   0.457834D+00 -0.317291D+00  0.916293D+00 -0.116406D+01  0.109424D+01
      3  -0.204486D+01  0.682793D+00 -0.116406D+01  0.276401D+01 -0.245881D+01
               161           162           163           164           165 
      1   0.109424D+01 -0.245881D+01 -0.312637D+01 -0.167500D+01  0.251670D+00
      2  -0.157096D+01  0.215288D+01 -0.167500D+01 -0.159804D+01 -0.200957D+00
      3   0.215288D+01 -0.657585D+01  0.251670D+00 -0.200957D+00 -0.246187D+00
               166           167           168           169           170 
      1  -0.396581D+01 -0.307299D+01 -0.436738D+00  0.349386D+01  0.284161D+00
      2  -0.307299D+01 -0.837447D+01 -0.406449D+00  0.284161D+00  0.933632D+00
      3  -0.436738D+00 -0.406449D+00 -0.733944D+00 -0.585509D+00 -0.924927D+00
               171           172           173           174           175 
      1  -0.585509D+00 -0.852843D+00  0.327195D+00 -0.132909D+01  0.223085D+01
      2  -0.924927D+00  0.327195D+00 -0.451358D+00 -0.162126D+00 -0.719939D+00
      3  -0.284859D+00 -0.132909D+01 -0.162126D+00 -0.115507D+01  0.251949D+00
               176           177           178           179           180 
      1  -0.719939D+00  0.251949D+00 -0.287564D+01 -0.166699D+00 -0.205893D+01
      2  -0.428677D+00 -0.824451D+00 -0.166699D+00 -0.972541D+00 -0.719729D+00
      3  -0.824451D+00  0.633250D+00 -0.205893D+01 -0.719729D+00 -0.695179D+01
               181           182           183           184           185 
      1   0.680151D+00 -0.997437D+00  0.117870D+01 -0.181721D+01  0.368326D+00
      2  -0.997437D+00  0.397703D+00  0.522084D-01  0.368326D+00  0.542824D-01
      3   0.117870D+01  0.522084D-01  0.662366D+00 -0.109573D+00  0.997049D+00
               186           187           188           189           190 
      1  -0.109573D+00  0.186557D+01  0.846761D-03  0.429381D+00 -0.100024D+01
      2   0.997049D+00  0.846761D-03  0.118687D+01 -0.824332D+00 -0.146037D+01
      3  -0.806685D+00  0.429381D+00 -0.824332D+00  0.726775D+01  0.548236D+00
               191           192           193           194           195 
      1  -0.146037D+01  0.548236D+00 -0.319670D+01 -0.332261D+01  0.328148D+00
      2  -0.138396D+01  0.188961D+00 -0.332261D+01 -0.813053D+01  0.113315D+01
      3   0.188961D+00 -0.465040D+00  0.328148D+00  0.113315D+01 -0.108232D+01
               196           197           198           199           200 
      1   0.120132D+01  0.493352D+00 -0.110686D+01 -0.184959D+01  0.394811D+00
      2   0.493352D+00  0.145318D+01 -0.108726D+01  0.394811D+00 -0.418281D+00
      3  -0.110686D+01 -0.108726D+01  0.299945D+00 -0.145627D+01 -0.134619D-01
               201           202           203           204           205 
      1  -0.145627D+01  0.115189D+01 -0.955616D+00  0.236424D+00 -0.366616D+01
      2  -0.134619D-01 -0.955616D+00 -0.253432D+00 -0.734800D+00 -0.241810D+00
      3  -0.152250D+01  0.236424D+00 -0.734800D+00  0.696915D+00 -0.329641D+01
               206           207           208           209           210 
      1  -0.241810D+00 -0.329641D+01 -0.731508D+01  0.213655D+01  0.249180D+01
      2  -0.107273D+01  0.187364D+00  0.213655D+01 -0.141508D+01 -0.703296D+00
      3   0.187364D+00 -0.664880D+01  0.249180D+01 -0.703296D+00 -0.170718D+01
               211           212           213           214           215 
      1   0.473262D+01 -0.236424D+01 -0.118325D+01  0.468913D+01 -0.957155D+00
      2  -0.236424D+01  0.150502D+01  0.120993D+01 -0.957155D+00  0.140153D+01
      3  -0.118325D+01  0.120993D+01  0.128921D+01 -0.283558D+01  0.105491D+01
               216           217           218           219           220 
      1  -0.283558D+01 -0.432174D+01  0.324186D+01  0.177432D+01  0.270772D+01
      2   0.105491D+01  0.324186D+01 -0.312529D+01 -0.105685D+01 -0.303296D+01
      3   0.189430D+01  0.177432D+01 -0.105685D+01 -0.139173D+01 -0.114822D+01
               221           222           223           224           225 
      1  -0.303296D+01 -0.114822D+01  0.275868D+01 -0.175041D+01 -0.196797D+01
      2   0.425828D+01  0.180195D+01 -0.175041D+01  0.278267D+01  0.206820D+01
      3   0.180195D+01  0.138446D+01 -0.196797D+01  0.206820D+01  0.182181D+01
               226           227           228           229           230 
      1  -0.471630D+00  0.983200D+00 -0.868687D+00  0.793812D+00 -0.647518D+00
      2   0.983200D+00 -0.797298D+00  0.276604D+00 -0.647518D+00  0.121836D+01
      3  -0.868687D+00  0.276604D+00 -0.104314D+01  0.245406D+00 -0.115977D+01
               231           232           233           234           235 
      1   0.245406D+00 -0.166025D+01  0.614689D+00 -0.144706D+01  0.825182D+01
      2  -0.115977D+01  0.614689D+00 -0.232584D+01  0.228608D+01  0.126416D+01
      3   0.122369D+01 -0.144706D+01  0.228608D+01 -0.618287D+01  0.114066D+01
               236           237           238           239           240 
      1   0.126416D+01  0.114066D+01  0.814065D+00  0.157872D+01  0.193492D+00
      2   0.226902D+01  0.264537D+00  0.157872D+01  0.138829D+01  0.508845D+00
      3   0.264537D+00  0.707253D+00  0.193492D+00  0.508845D+00  0.653382D+00
               241           242           243           244           245 
      1   0.112602D+01  0.324774D+00  0.495248D+00 -0.136338D+00 -0.119917D+01
      2   0.324774D+00  0.858595D+00  0.864318D+00 -0.119917D+01  0.552990D+00
      3   0.495248D+00  0.864318D+00  0.191299D+00  0.126577D+01 -0.240154D+00
               246           247           248           249           250 
      1   0.126577D+01 -0.195036D+01  0.976632D+00 -0.418920D+00  0.200642D+01
      2  -0.240154D+00  0.976632D+00 -0.151882D+01  0.153003D+01 -0.273840D+00
      3   0.114253D+01 -0.418920D+00  0.153003D+01 -0.186656D+01  0.200214D+01
               251           252           253           254           255 
      1  -0.273840D+00  0.200214D+01 -0.746352D+01 -0.360437D+01 -0.393208D+01
      2   0.183690D+01 -0.157808D+01 -0.360437D+01  0.916180D+00  0.359149D+00
      3  -0.157808D+01  0.517127D+01 -0.393208D+01  0.359149D+00  0.168994D+01
               256           257           258           259           260 
      1   0.120059D+01  0.343708D+01  0.112909D+01 -0.363134D+01  0.479303D+00
      2   0.343708D+01  0.386448D+01  0.226733D+01  0.479303D+00  0.131265D+01
      3   0.112909D+01  0.226733D+01 -0.198558D+01  0.187204D+01 -0.306191D+01
               261           262           263           264           265 
      1   0.187204D+01  0.361731D+01 -0.243464D+01 -0.168054D+01 -0.164290D+01
      2  -0.306191D+01 -0.243464D+01  0.219813D+01  0.113918D+01  0.171046D+01
      3  -0.880486D-02 -0.168054D+01  0.113918D+01  0.153006D+01  0.873986D+00
               266           267           268           269           270 
      1   0.171046D+01  0.873986D+00 -0.333730D+01  0.246811D+01  0.256416D+01
      2  -0.269555D+01 -0.103501D+01  0.246811D+01 -0.287340D+01 -0.216937D+01
      3  -0.103501D+01 -0.111036D+01  0.256416D+01 -0.216937D+01 -0.276466D+01
               271           272           273           274           275 
      1  -0.158062D+01  0.122128D+01  0.177676D+01  0.546604D+00 -0.935560D+00
      2   0.122128D+01 -0.202460D+01 -0.134509D+01 -0.935560D+00  0.178315D+01
      3   0.177676D+01 -0.134509D+01 -0.216511D+01 -0.534274D+00  0.133619D+01
               276           277           278           279           280 
      1  -0.534274D+00  0.196986D+01 -0.449380D+00 -0.116012D+01  0.382855D+00
      2   0.133619D+01 -0.449380D+00  0.224614D+01  0.259596D+01  0.804321D+00
      3   0.155772D+01 -0.116012D+01  0.259596D+01  0.431179D+01 -0.340307D+00
               281           282           283           284           285 
      1   0.804321D+00 -0.340307D+00  0.823951D+00 -0.372365D-01 -0.988300D-01
      2  -0.632047D+00  0.879487D-01 -0.372365D-01  0.301057D+01 -0.172146D+01
      3   0.879487D-01 -0.462385D+00 -0.988300D-01 -0.172146D+01  0.164405D+01
               286           287           288           289           290 
      1  -0.140922D+01 -0.472475D+00 -0.377522D+00  0.116934D+02  0.397303D+01
      2  -0.472475D+00 -0.324596D+01  0.162500D+01  0.397303D+01  0.275316D+01
      3  -0.377522D+00  0.162500D+01 -0.293241D+01  0.316340D+01  0.120861D+01
               291           292           293           294           295 
      1   0.316340D+01  0.196728D+01  0.184158D+01  0.583358D+00  0.281906D+01
      2   0.120861D+01  0.184158D+01  0.111352D+01  0.484104D+00  0.105456D+01
      3   0.170718D+01  0.583358D+00  0.484104D+00  0.495505D+00  0.194402D+01
               296           297 
      1   0.105456D+01  0.194402D+01
      2   0.729276D+00  0.117674D+01
      3   0.117674D+01  0.142991D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.227985D+01 -0.472777D+00 -0.178157D+01 -0.616688D+01 -0.953782D+00
      2   0.107049D+01 -0.225940D+01  0.229395D+01 -0.544075D+01  0.993599D+00
      3  -0.744235D+01 -0.355973D+01  0.228266D+00  0.101253D+02 -0.103473D+01
                 6             7             8             9            10 
      1  -0.410520D+01 -0.380587D+01  0.250786D+01 -0.734785D+00 -0.114444D+01
      2  -0.102643D+01 -0.555861D+01 -0.121592D+01 -0.498986D+00  0.346432D+01
      3   0.322232D+01 -0.380575D+01 -0.116836D+01  0.308519D+01  0.126410D+02
                11            12            13            14            15 
      1  -0.158890D+01  0.123276D+01 -0.499573D+01  0.418242D+01 -0.626235D+01
      2   0.124295D+01 -0.278273D+01  0.634148D+01  0.296179D+01 -0.293540D+01
      3   0.119821D+01  0.656658D+00  0.139614D+02  0.122805D+01  0.536465D+00
                16            17            18            19            20 
      1   0.671088D+01  0.730803D+00 -0.502699D+01 -0.208674D+01  0.121405D+01
      2  -0.199359D+02 -0.230524D+01  0.139940D+01  0.190941D+01 -0.248028D+01
      3  -0.331130D+01  0.972286D+00 -0.904460D+00  0.248507D+01 -0.957486D+00
                21            22            23            24            25 
      1  -0.134616D+01  0.381719D+01  0.124089D+01  0.119811D-01  0.302533D+01
      2   0.872866D+01  0.201426D+01 -0.268116D+01  0.343148D+01 -0.866584D+01
      3   0.322359D+01  0.132890D+02  0.336079D+01  0.418263D+00  0.199242D+01
                26            27            28            29            30 
      1   0.312805D+01  0.329223D+01  0.120603D+01 -0.178456D+01  0.430687D+01
      2  -0.180937D+00 -0.145877D+00 -0.327199D+01  0.808499D+00 -0.280196D+01
      3  -0.864116D-01 -0.203118D+01 -0.116226D+02 -0.177370D+01 -0.228923D+01
                31            32            33            34            35 
      1  -0.167930D+01  0.494028D+01 -0.539868D+01  0.816719D+01  0.239252D+01
      2   0.636064D+01  0.266309D+01 -0.412800D+01 -0.180088D+02 -0.645909D+01
      3   0.123833D+02  0.794726D+00 -0.106929D+01 -0.893398D+01 -0.866244D+00
                36            37            38            39            40 
      1  -0.393797D+01  0.945157D+00 -0.101132D+01  0.168797D+00 -0.463423D+01
      2  -0.291595D+01  0.566772D+01 -0.139876D+01  0.306281D+01 -0.641510D+01
      3  -0.105363D+01  0.158047D+01 -0.198225D+01  0.278324D+01  0.910888D+01
                41            42            43            44            45 
      1  -0.217274D+01 -0.365646D+01 -0.388312D+01  0.126308D+01 -0.237714D+01
      2   0.106554D+01 -0.197937D+01 -0.151053D+01  0.939288D-01 -0.330976D+00
      3  -0.542301D+00  0.228957D+01  0.803904D+01  0.104578D+01  0.431142D+01
                46            47            48            49            50 
      1  -0.449921D+00  0.246740D+01 -0.122829D+01  0.555587D+01  0.927745D+00
      2  -0.255916D+01 -0.359457D+01  0.869460D+01 -0.453315D+01 -0.337688D+01
      3  -0.108531D+02 -0.322120D+01  0.238871D+01  0.680087D+01  0.164593D+01
                51            52            53            54            55 
      1  -0.219289D+01  0.272813D+01  0.236418D+01  0.370653D+00 -0.164922D+01
      2   0.494913D+01 -0.501064D+01  0.260632D+00 -0.909025D+00  0.554058D+01
      3  -0.554104D+00  0.826909D+01  0.890941D+00 -0.165553D+01 -0.155448D+02
                56            57            58            59            60 
      1   0.208460D+00  0.184380D+00 -0.160033D+00 -0.632294D+01 -0.291337D+01
      2  -0.126548D+01  0.703822D+00 -0.411570D+01  0.617929D+01  0.325335D+01
      3   0.521306D+01  0.155171D+01  0.281859D+02  0.128424D+02 -0.182048D+01
                61            62            63            64            65 
      1   0.131586D+01  0.238315D+01  0.654963D+01  0.191940D+01 -0.484425D+00
      2  -0.199241D+02  0.299097D+01 -0.200135D+02 -0.107807D+02  0.192446D+01
      3   0.963475D+01 -0.608441D+01 -0.522215D+01  0.244974D+02 -0.123938D+02
                66            67            68            69            70 
      1   0.849867D+00  0.117031D+01 -0.933213D+00 -0.270095D+01 -0.132333D+01
      2   0.111486D+02  0.439059D+01 -0.501388D+01 -0.652524D+01  0.100659D+02
      3  -0.188106D+01 -0.114015D+02 -0.174456D+02  0.319491D+01 -0.877880D+01
                71            72            73            74            75 
      1   0.399452D+01  0.162440D+01 -0.107938D+01 -0.318507D+00  0.124911D+01
      2  -0.876013D+01  0.330079D+02  0.141715D+02 -0.320243D+01 -0.137200D+02
      3   0.610821D+01  0.882866D+01 -0.190991D+02  0.107159D+02  0.451580D+01
                76            77            78            79            80 
      1  -0.879817D+00 -0.169714D+01 -0.223375D+01  0.221869D+01  0.153100D+01
      2  -0.498817D+01  0.131288D+02  0.797495D+01 -0.288783D+02  0.673130D+01
      3   0.273514D+02  0.315238D+02 -0.125279D+02  0.615375D+01 -0.132986D+02
                81            82            83            84            85 
      1   0.201773D+01  0.497356D+01 -0.167145D+01 -0.384072D+01 -0.175038D+01
      2  -0.273280D+02  0.991146D+01 -0.368888D+01 -0.481830D+01 -0.415275D+01
      3  -0.976211D+01 -0.266952D+02 -0.448397D+01 -0.210012D+01  0.121397D+01
                86            87            88            89            90 
      1   0.511483D+01  0.314847D+01 -0.606006D+01  0.966030D+01 -0.913381D+01
      2   0.552399D+01  0.863991D+01 -0.126707D+02  0.114461D+02 -0.179024D+02
      3   0.129858D+02 -0.399671D+01 -0.168367D+01 -0.643789D+01 -0.815336D+01
                91            92            93            94            95 
      1  -0.137880D+01 -0.177724D+01  0.922450D+00 -0.430582D+01 -0.187770D+01
      2   0.793334D+01 -0.143205D+01  0.122097D+00 -0.842282D+01 -0.458263D+01
      3  -0.628418D+01  0.107420D+01  0.164088D+01  0.229507D+02  0.105464D+02
                96            97            98            99           100 
      1  -0.700467D+01  0.365994D+01  0.169385D+01  0.391358D+01  0.176357D+01
      2   0.861243D+01 -0.232690D+02  0.929810D+01 -0.475769D+01 -0.159918D+02
      3   0.846651D+01  0.854250D+01  0.514269D+01 -0.996010D+01  0.147809D+02
               101           102           103           104           105 
      1   0.645069D+01 -0.652624D+00  0.297653D+01  0.536909D+01  0.139760D+01
      2   0.578319D+01  0.451309D+01  0.818971D+01  0.179947D+01 -0.878688D+01
      3  -0.456710D+01 -0.428418D+01 -0.546794D+00 -0.214381D+01 -0.468823D+01
               106           107           108           109           110 
      1  -0.291667D+01  0.886663D+00 -0.255225D+01 -0.192262D+01 -0.414163D+01
      2  -0.571037D+01 -0.785133D+01  0.178762D+02 -0.577088D+01 -0.314884D+01
      3  -0.127835D+01 -0.127992D+02  0.734877D+01 -0.100629D+02 -0.850778D+01
               111           112           113           114           115 
      1  -0.919169D+00 -0.864915D+00 -0.590547D+01 -0.273822D+01 -0.216705D-02
      2   0.845454D+01 -0.627401D+01 -0.873257D+01  0.102229D+02  0.927935D+01
      3   0.361406D+01 -0.132095D+01 -0.170636D+02  0.758318D+01 -0.341258D+01
               116           117           118           119           120 
      1   0.774414D+01  0.239219D+00  0.320354D+01 -0.166471D+01 -0.811072D+00
      2   0.961927D+01 -0.303225D+02  0.938996D+01 -0.653450D+01 -0.278194D+01
      3   0.150486D+02 -0.855373D+01  0.325489D+00  0.196159D+01  0.305396D+01
               121           122           123           124           125 
      1   0.138070D+01  0.147435D+01 -0.605494D+01 -0.342779D+01  0.313134D+01
      2  -0.839209D+00  0.450867D+01  0.656035D-01 -0.680056D+01  0.154247D+01
      3   0.245243D+01  0.178547D+02 -0.414970D+01  0.605423D+01 -0.800388D+01
               126           127           128           129           130 
      1   0.565452D+01  0.285849D+00 -0.192940D+01 -0.896326D+00  0.641243D+00
      2   0.106708D+02  0.541846D+01  0.146990D+01 -0.363929D+00  0.188333D+01
      3   0.103526D+01  0.446284D+01 -0.153589D+00 -0.119059D+01  0.398258D+01
               131           132           133           134           135 
      1  -0.507543D+00 -0.297102D+01 -0.713836D+00  0.166841D+01  0.192392D+01
      2   0.526478D+00  0.405041D+00 -0.264585D+01  0.789802D-01 -0.159246D+01
      3  -0.108994D+01 -0.527871D+00 -0.165075D+01  0.159329D+01 -0.183495D-02
               136           137           138           139           140 
      1   0.136514D+01  0.106774D+01  0.212468D+01 -0.491078D+00 -0.815782D+00
      2  -0.356260D+01  0.367126D+00 -0.983243D+00  0.601414D+00  0.599418D-01
      3  -0.307282D+01 -0.248989D+00 -0.179427D+01  0.151965D+01  0.584995D+00
               141           142           143           144           145 
      1  -0.269482D+01  0.497093D+00  0.308677D+01  0.243500D+01 -0.113794D+01
      2  -0.112255D+01 -0.435515D+01  0.261074D+00  0.791515D+00  0.701314D+01
      3   0.534908D+00 -0.238130D+01 -0.676435D+00 -0.155332D+01  0.361711D+01
               146           147           148           149           150 
      1  -0.256330D+01 -0.266995D+00 -0.827008D+00 -0.140766D+01 -0.171625D+01
      2   0.162803D+01 -0.858332D+00  0.276080D+01  0.640529D+00  0.410185D+00
      3  -0.641419D+00 -0.778333D+00  0.259546D+01 -0.937546D+00  0.393840D-01
               151           152           153           154           155 
      1   0.447368D+00  0.264051D+01  0.359446D+00 -0.224191D+00  0.135370D+01
      2  -0.236739D+01 -0.440068D+00 -0.120107D+01 -0.399049D+01  0.527522D+00
      3  -0.580874D+00  0.193859D+01 -0.273032D+00 -0.126844D+01 -0.375340D+00
               156           157           158           159           160 
      1   0.564336D+00  0.191552D+00 -0.133150D+01 -0.887216D+00 -0.158250D+01
      2  -0.782492D+00  0.359649D+00  0.232732D+00 -0.138643D+01 -0.512283D+01
      3  -0.386529D+00  0.100201D+01  0.535733D+00 -0.146488D+00 -0.814750D+00
               161           162           163           164           165 
      1   0.446216D+01 -0.115569D+01  0.123936D+01  0.107550D+01 -0.933915D+00
      2   0.413900D+00  0.163009D+01 -0.360700D+01 -0.714836D+00  0.209583D+01
      3  -0.135747D+01  0.131031D+00 -0.143422D+01 -0.438818D+01 -0.686009D+00
               166           167           168           169           170 
      1   0.145683D+01  0.567499D+01 -0.291411D+01 -0.103434D+01 -0.974141D+00
      2  -0.129451D+01 -0.225112D+01  0.259085D+01  0.182231D+01  0.283184D+01
      3  -0.251618D+01 -0.229863D+02 -0.112314D+01 -0.244686D+01  0.281804D+01
               171           172           173           174           175 
      1   0.123813D+00 -0.175328D+01  0.468058D+00 -0.104281D+01 -0.114268D+00
      2   0.110053D+01  0.473329D+01  0.612827D+00  0.406136D+01  0.119931D+01
      3  -0.175227D+01  0.287809D+01 -0.257043D+01  0.884128D+00 -0.216056D+01
               176           177           178           179           180 
      1  -0.540225D+00  0.276168D+00 -0.188653D+01  0.287067D+01 -0.747920D+01
      2   0.186313D+01 -0.230920D+01  0.608277D+00  0.190996D+01  0.211521D+02
      3  -0.638681D+00 -0.250724D+01  0.198157D+01 -0.334553D+01  0.923517D+00
               181           182           183           184           185 
      1  -0.134766D+01  0.770587D+00 -0.240086D+00  0.293043D+00 -0.160881D+00
      2  -0.693709D+01  0.539988D+00 -0.337280D+01  0.193032D+01 -0.460692D+01
      3  -0.432143D+01  0.125483D+01 -0.249574D+00  0.389432D+01  0.110863D+00
               186           187           188           189           190 
      1  -0.426763D+00 -0.706833D+00  0.325601D+01 -0.120752D+01  0.165415D+00
      2   0.396972D+01 -0.735565D+01  0.400135D+01 -0.312967D+02 -0.318919D+01
      3   0.423785D+01 -0.642411D+00  0.464837D+01 -0.377339D+01 -0.770238D+01
               191           192           193           194           195 
      1   0.143700D+00 -0.624783D+00  0.230490D+00  0.262476D+00 -0.313045D+01
      2  -0.100999D+01  0.314409D+01 -0.155846D+01 -0.692807D+01  0.685047D+01
      3  -0.785763D+01  0.714964D+00 -0.129632D+02 -0.442996D+02  0.630737D+01
               196           197           198           199           200 
      1  -0.547413D+00  0.370972D+00  0.416039D+00 -0.725736D+00  0.491907D+00
      2   0.471166D+01  0.589425D+01 -0.154126D+01  0.784967D+01  0.133175D+00
      3   0.165076D+01  0.804046D+01 -0.503456D+01  0.302769D+01 -0.339512D+01
               201           202           203           204           205 
      1  -0.870045D+00  0.232649D+00 -0.425000D+00 -0.379606D+00 -0.115761D+01
      2   0.952227D+01 -0.852503D+00  0.379301D+01 -0.400537D+01  0.147084D+02
      3   0.638834D+00 -0.441666D+01 -0.869122D+00 -0.390982D+01  0.341746D+00
               206           207           208           209           210 
      1   0.290966D+01 -0.278481D+01  0.906384D+00 -0.926142D+00 -0.270905D-01
      2  -0.140177D+01  0.381504D+02 -0.133583D+02  0.392986D+01  0.117867D+02
      3  -0.664441D+01  0.326343D+01  0.143755D+02 -0.112333D+02 -0.513157D+01
               211           212           213           214           215 
      1  -0.454112D+00  0.104590D+01 -0.546044D+00 -0.633063D+00  0.182475D+01
      2   0.607211D+01 -0.685919D+01 -0.832417D+01  0.141778D+02 -0.611809D+01
      3  -0.134635D+02  0.103388D+02  0.744765D+01 -0.673022D+01  0.944855D+01
               216           217           218           219           220 
      1   0.202089D+00 -0.370123D+01  0.163028D+01  0.419230D+01  0.269043D+01
      2  -0.110992D+02 -0.648854D+01  0.412784D+01  0.684120D+01  0.393535D+01
      3   0.720947D+01  0.466992D+01 -0.854496D+01 -0.898201D+00 -0.413582D+01
               221           222           223           224           225 
      1  -0.309410D+01 -0.432982D+01  0.418368D+01 -0.249115D+01 -0.404467D+01
      2  -0.697504D+01 -0.632523D+01  0.621029D+01 -0.803787D+01 -0.741670D+01
      3   0.124016D+02  0.482961D+01 -0.999872D+00  0.879184D+01  0.495858D+01
               226           227           228           229           230 
      1   0.171650D+01 -0.104257D+00  0.206590D+01 -0.538530D+00  0.163854D+01
      2   0.354116D+01 -0.101485D+01  0.430400D+01 -0.537195D+00  0.405257D+01
      3   0.395567D+01 -0.241729D+01 -0.137023D+00  0.122937D+00  0.357512D+01
               231           232           233           234           235 
      1  -0.371267D+01  0.259629D+01 -0.130624D+01  0.133324D+02 -0.137739D+01
      2  -0.426949D+01  0.176768D+01 -0.838918D+01  0.235294D+02 -0.430728D+01
      3  -0.386511D+01 -0.125465D+01 -0.901178D+01  0.735388D+01  0.263408D+02
               236           237           238           239           240 
      1  -0.147662D+00 -0.237482D+01 -0.154249D+00 -0.974264D+00 -0.181998D+01
      2  -0.754541D+00 -0.131899D+01 -0.535764D+00 -0.189408D+01 -0.118322D+01
      3   0.952742D+01  0.346414D+01  0.105274D+02  0.702715D+01  0.259051D+01
               241           242           243           244           245 
      1  -0.214401D+01 -0.220343D+00 -0.109084D+00 -0.198853D+01  0.842329D+00
      2  -0.455091D+01 -0.267280D+01 -0.481270D+00  0.446644D+01  0.517531D+00
      3   0.328353D+01  0.365038D+01  0.435713D+01  0.412351D+01 -0.227346D+01
               246           247           248           249           250 
      1  -0.690893D+00  0.752420D+00 -0.293941D+01  0.755399D+00 -0.109636D+01
      2   0.325504D+01  0.143991D+01  0.425775D+01 -0.561959D+01  0.198486D+01
      3   0.117822D+01 -0.642367D+00  0.484011D+01 -0.497092D+01  0.291679D+00
               251           252           253           254           255 
      1   0.433051D+01 -0.266192D+01  0.365225D+01  0.121442D+01 -0.482400D+01
      2  -0.520412D+01  0.141407D+02 -0.560372D+01  0.436257D+01  0.123128D+02
      3  -0.618612D+01  0.584708D+01 -0.343814D+01 -0.137434D+02 -0.932832D+01
               256           257           258           259           260 
      1   0.282408D+01 -0.182757D+00  0.728298D+01 -0.250315D+01  0.129265D+02
      2   0.272783D+01  0.442753D+01 -0.927673D+01  0.816625D+01 -0.113417D+02
      3  -0.134310D+02 -0.897958D+01 -0.703233D+01 -0.785143D+01 -0.428161D+01
               261           262           263           264           265 
      1  -0.366881D+01 -0.233472D+01  0.115209D+01  0.270353D+01  0.181921D+01
      2  -0.128809D+01 -0.556042D+01  0.484884D+01  0.602093D+01  0.302447D+01
      3   0.140926D+02  0.460936D+01 -0.653741D+01 -0.208488D+01 -0.336621D+01
               266           267           268           269           270 
      1  -0.170921D+01 -0.222237D+01  0.342502D+01 -0.186137D+01 -0.443112D+01
      2  -0.424254D+01 -0.467606D+01  0.838264D+01 -0.840034D+01 -0.116684D+02
      3   0.821516D+01  0.282168D+01 -0.494155D+01  0.910734D+01  0.572870D+01
               271           272           273           274           275 
      1  -0.257180D+01 -0.963321D+00  0.384875D+01 -0.552561D+00 -0.632892D+00
      2   0.900175D+01 -0.504182D+01 -0.793822D+01 -0.234863D+01  0.538753D+01
      3  -0.897535D+01  0.731912D+01  0.763331D+01  0.566155D+01 -0.695659D+01
               276           277           278           279           280 
      1  -0.295456D+01  0.271474D+01 -0.861964D+00 -0.596920D+01  0.259645D+01
      2   0.520738D+01 -0.793990D+01  0.825793D+01  0.138708D+02 -0.210257D+01
      3  -0.548636D+01  0.615061D+01 -0.752812D+01 -0.112358D+02 -0.335769D+01
               281           282           283           284           285 
      1  -0.801715D+00  0.187465D+01 -0.112900D+00  0.706271D+01 -0.702505D+01
      2  -0.286195D+00 -0.127453D+01 -0.870783D+00 -0.539225D+01  0.523238D+01
      3   0.272140D+01 -0.149992D+01  0.285914D+01 -0.948622D+01  0.572450D+01
               286           287           288           289           290 
      1   0.131085D+01 -0.523020D+01  0.111242D+02 -0.134488D+01  0.180039D+01
      2  -0.264718D+01  0.560970D+01 -0.941178D+01 -0.220276D+01  0.116726D+00
      3  -0.283557D+01  0.972844D+01 -0.680782D+01  0.788051D+01 -0.531937D+01
               291           292           293           294           295 
      1  -0.291701D+01  0.850997D+00  0.536401D+00 -0.190098D+01 -0.265297D+01
      2   0.475163D+01 -0.516732D-01 -0.529070D+00  0.206358D+01  0.241256D+01
      3   0.143463D+01 -0.992876D+00 -0.100916D+01 -0.781484D-01  0.194900D+01
               296           297 
      1  -0.651862D+00 -0.118914D+01
      2   0.260759D+01  0.301114D+01
      3  -0.119736D+01 -0.746476D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.974400D+01 -0.112765D+02  0.202064D+02  0.128288D+02 -0.126323D+02
      2  -0.302745D+01  0.246630D+01 -0.318040D+01 -0.166082D+00  0.202674D+02
      3   0.127715D+02  0.881016D+01 -0.170260D+02 -0.126627D+02 -0.763504D+01
      4  -0.102017D+02 -0.619385D+01  0.809556D+01  0.147667D+01  0.525823D+00
      5   0.107334D+02  0.585101D+01  0.357198D+01  0.791875D+01  0.298724D+01
      6   0.518254D+01 -0.259572D+01  0.374463D+01  0.623078D+01  0.101763D+01
                 6             7             8             9            10 
      1   0.190876D+01 -0.344071D+02 -0.146416D+02  0.891850D+01  0.515867D+02
      2  -0.418156D+01  0.108836D+02  0.768378D+01 -0.938274D+01 -0.199174D+02
      3   0.227280D+01  0.235235D+02  0.695782D+01  0.464239D+00 -0.316693D+02
      4   0.317006D+01 -0.419158D+01  0.289181D+00 -0.502403D+01 -0.911259D+00
      5  -0.731636D+01  0.784023D+01 -0.642128D+01  0.362623D+01  0.232617D+01
      6   0.306662D+00 -0.106941D+02 -0.723675D+01  0.793600D+01  0.223470D+01
                11            12            13            14            15 
      1  -0.373608D+00  0.440054D+01 -0.728334D+01 -0.636387D+01  0.973774D+01
      2   0.194487D+01 -0.454129D+01  0.370359D+01  0.648994D+01 -0.366873D+01
      3  -0.157126D+01  0.140742D+00  0.357975D+01 -0.126072D+00 -0.606900D+01
      4   0.327320D+01 -0.369268D+01  0.780916D+01  0.196448D+01  0.123779D+01
      5  -0.366529D+01  0.429077D+01  0.135193D+02 -0.227281D-01  0.201291D+01
      6  -0.134930D+01  0.286045D+01  0.413187D+01  0.336097D+01  0.108242D+02
                16            17            18            19            20 
      1   0.966648D+01  0.122647D+02 -0.167927D+02  0.135199D+02  0.183892D+02
      2   0.299763D+01  0.344465D+01  0.452061D+01  0.284459D+01 -0.121110D+02
      3  -0.126641D+02 -0.157094D+02  0.122721D+02 -0.163645D+02 -0.627819D+01
      4   0.194797D+02  0.191666D+01 -0.131935D+01  0.469187D+01  0.354267D+01
      5  -0.100151D+02 -0.151745D+00  0.167952D+01 -0.152800D+02  0.193816D+01
      6   0.429589D+01  0.668870D+01 -0.491393D+01 -0.205439D+01  0.449760D+01
                21            22            23            24            25 
      1  -0.181164D+02 -0.783926D+01 -0.183918D+01 -0.168083D+02  0.141983D+02
      2   0.119867D+02  0.110213D+01  0.988731D+01 -0.498118D+01 -0.453793D+01
      3   0.612968D+01  0.673713D+01 -0.804813D+01  0.217895D+02 -0.966032D+01
      4   0.955790D-01  0.116324D+02 -0.605816D+01 -0.866788D+00  0.189054D+01
      5  -0.104533D+02 -0.362785D+01 -0.102486D+01 -0.336236D+00  0.766717D+01
      6  -0.677246D+01 -0.341342D+01 -0.166975D+01  0.218424D+00  0.119402D+02
                26            27            28            29            30 
      1  -0.757235D+01  0.326246D+01  0.579146D+01  0.206554D+01  0.619360D+00
      2  -0.784248D+00 -0.280872D+01  0.283642D-01 -0.184304D+01 -0.274078D+01
      3   0.835660D+01 -0.453732D+00 -0.581982D+01 -0.222499D+00  0.212142D+01
      4  -0.283998D+01  0.814999D+01  0.183492D+01  0.521414D+01 -0.155572D+01
      5   0.752073D+01 -0.575154D+01  0.659766D+01 -0.111908D+01  0.593925D+01
      6   0.999320D+00  0.124259D+02  0.629969D+01  0.250533D+01 -0.867710D+00
                31            32            33            34            35 
      1  -0.125117D+02 -0.896790D+01  0.107177D+02 -0.221722D+00  0.136475D+02
      2  -0.388307D+00  0.360021D+01 -0.434956D+01  0.612250D+01  0.221550D+01
      3   0.129000D+02  0.536769D+01 -0.636812D+01 -0.590078D+01 -0.158630D+02
      4   0.760300D+01  0.245926D+01  0.272893D+01  0.212783D+02  0.399707D+01
      5   0.178083D+02  0.360101D+01  0.158277D+01 -0.676587D+01 -0.321242D+01
      6   0.298807D+01  0.415184D+01  0.100019D+02  0.236090D+01  0.650698D+01
                36            37            38            39            40 
      1  -0.180984D+02  0.154498D+01 -0.910988D+01  0.224932D+02  0.108579D+02
      2   0.489745D+01 -0.809763D+01  0.184586D+01 -0.539561D+01  0.997355D+00
      3   0.132009D+02  0.655265D+01  0.726402D+01 -0.170976D+02 -0.118552D+02
      4  -0.345567D+01 -0.133046D+02 -0.561979D+01  0.544059D+01  0.500276D+01
      5  -0.214401D+01  0.111978D+02  0.343250D+01  0.424823D+01  0.446163D+01
      6  -0.656452D+01  0.398344D+01 -0.346888D+01 -0.461922D+00  0.322298D+01
                41            42            43            44            45 
      1  -0.528120D+01 -0.901858D+00 -0.190008D+02 -0.122442D+02  0.111331D+02
      2   0.115120D+02 -0.138104D+01  0.258681D+01  0.376309D+01 -0.816784D+01
      3  -0.623080D+01  0.228290D+01  0.164140D+02  0.848109D+01 -0.296524D+01
      4   0.432368D+00  0.844138D+00 -0.739607D+01 -0.405643D+01 -0.562451D+01
      5   0.224554D+01 -0.801753D+01  0.927910D+01 -0.525526D+01  0.206808D+01
      6   0.299626D+01  0.175850D+01 -0.123879D+02 -0.471975D+01  0.804275D+01
                46            47            48            49            50 
      1  -0.276798D+01  0.117750D+02 -0.161907D+02 -0.199301D+02  0.290465D+01
      2   0.990659D+01 -0.599462D+01  0.958227D+01  0.716609D+01  0.391392D+01
      3  -0.713862D+01 -0.578039D+01  0.660839D+01  0.127640D+02 -0.681857D+01
      4   0.890779D+01  0.734675D+01 -0.119987D+01  0.130935D+02 -0.423879D+01
      5  -0.145872D+02  0.110034D+01 -0.896147D+01 -0.768742D+01 -0.590776D+00
      6   0.499404D+00  0.303298D+01 -0.598702D+01 -0.269690D+01  0.263904D+01
                51            52            53            54            55 
      1  -0.219420D+02  0.205940D+02 -0.667742D+01  0.188864D+01 -0.523038D+02
      2   0.367298D+00 -0.581075D+01 -0.277045D+00  0.366457D+00  0.197209D+02
      3   0.215747D+02 -0.147833D+02  0.695447D+01 -0.225510D+01  0.325829D+02
      4  -0.324858D+00  0.198712D+01 -0.187547D+01  0.542553D+01  0.103921D+02
      5   0.357038D+00  0.545926D+01  0.498964D+01 -0.541275D+01  0.787932D+01
      6   0.343621D+01  0.859631D+01  0.236846D+01  0.150350D+02  0.145971D+01
                56            57            58            59            60 
      1   0.131212D+02  0.655720D+01  0.418716D+02 -0.108798D+02 -0.593571D+01
      2  -0.914024D+01 -0.112232D+01 -0.300383D+02 -0.117473D+02  0.128388D+01
      3  -0.398098D+01 -0.543488D+01 -0.118333D+02  0.226271D+02  0.465183D+01
      4  -0.152363D+02 -0.209550D+01 -0.335374D+02 -0.395109D+02  0.250732D+01
      5  -0.223836D+01 -0.676661D+01 -0.615591D+01  0.385730D+01  0.566372D+01
      6  -0.163784D+01 -0.979649D+00 -0.378056D+01 -0.201006D+01  0.146285D+01
                61            62            63            64            65 
      1   0.394495D+02 -0.841987D+01 -0.241333D+01 -0.226108D+02 -0.350477D+02
      2  -0.119851D+02  0.598417D+01  0.136024D+02  0.168607D+02  0.149550D+02
      3  -0.274644D+02  0.243570D+01 -0.111891D+02  0.575010D+01  0.200928D+02
      4  -0.720325D+01  0.113244D+02  0.281768D+01 -0.374799D+02  0.146262D+02
      5  -0.198835D+02  0.317051D+01 -0.377814D+02 -0.143888D+02  0.336662D+01
      6  -0.210796D+01  0.555057D+00 -0.619752D+01  0.163560D+01  0.125058D+01
                66            67            68            69            70 
      1  -0.112460D+02 -0.719348D+02  0.270386D+02  0.614089D+00 -0.437693D+02
      2   0.772683D+01  0.364458D+02 -0.157292D+02 -0.554026D+00  0.191256D+02
      3   0.351912D+01  0.354891D+02 -0.113094D+02 -0.600622D-01  0.246437D+02
      4   0.308903D+01  0.246996D+02  0.362583D+02 -0.627334D+01  0.613911D+01
      5   0.156764D+02  0.643684D+01 -0.754745D+01 -0.127079D+02  0.297795D+02
      6  -0.132221D+00 -0.976133D+00  0.232665D+01 -0.196912D+00 -0.974795D+00
                71            72            73            74            75 
      1   0.248056D+01  0.279463D+02  0.279401D+02  0.418522D+02  0.255956D+02
      2  -0.165113D+01 -0.604835D+01 -0.127068D+02 -0.238242D+02 -0.118113D+02
      3  -0.829430D+00 -0.218979D+02 -0.152334D+02 -0.180280D+02 -0.137843D+02
      4  -0.112411D+02 -0.139700D+02  0.423876D+02 -0.198446D+02 -0.654238D+01
      5  -0.136051D+02  0.568437D+02  0.281969D+02 -0.743922D+01 -0.309571D+02
      6   0.351159D+01  0.719047D+00 -0.157126D+00  0.136485D+01 -0.218021D+00
                76            77            78            79            80 
      1   0.577661D+02 -0.277384D+02 -0.117527D+02  0.410349D+02 -0.980697D+01
      2  -0.345821D+02  0.525480D+01  0.759891D+01 -0.172352D+02  0.687312D+01
      3  -0.231840D+02  0.224836D+02  0.415382D+01 -0.237996D+02  0.293385D+01
      4  -0.358866D+02 -0.592278D+02  0.235560D+02 -0.861739D+01  0.241840D+02
      5  -0.112762D+02  0.259679D+02  0.171031D+02 -0.493452D+02  0.145020D+02
      6   0.342908D+01  0.373635D+01 -0.752354D+00  0.388277D-01 -0.111966D+01
                81            82            83            84            85 
      1  -0.399510D+02  0.376731D+02  0.274806D+02  0.200440D+02  0.335454D+02
      2   0.266626D+02 -0.296331D+02 -0.841438D+01 -0.796798D+01 -0.124848D+02
      3   0.132884D+02 -0.803999D+01 -0.190662D+02 -0.120760D+02 -0.210605D+02
      4   0.146685D+02  0.248887D+02 -0.265017D+02 -0.129483D+02 -0.293743D+02
      5  -0.520487D+02  0.197057D+02 -0.894085D+01 -0.146223D+02 -0.888768D+01
      6  -0.278690D+01 -0.125785D+02  0.310138D+01  0.792009D+01  0.472395D+01
                86            87            88            89            90 
      1  -0.262755D+02 -0.274398D+01  0.267079D+02 -0.617553D+01 -0.931371D+01
      2   0.199223D+02 -0.413175D+01 -0.829558D+01 -0.357252D+01  0.344988D+01
      3   0.635325D+01  0.687573D+01 -0.184123D+02  0.974805D+01  0.586383D+01
      4  -0.124403D+02  0.127486D+02 -0.151512D+02  0.203254D+02  0.288073D+02
      5   0.126460D+02  0.184979D+02 -0.233092D+02  0.246067D+02 -0.355600D+02
      6  -0.923873D+01 -0.885350D+01  0.111353D+02 -0.128799D+02  0.164230D+02
                91            92            93            94            95 
      1   0.116544D+02  0.142647D+02  0.815015D+01  0.176036D+02 -0.134618D+01
      2  -0.621393D+01 -0.104047D+02 -0.129015D+01 -0.176790D+02 -0.377095D+01
      3  -0.544043D+01 -0.386001D+01 -0.686000D+01  0.754001D-01  0.511713D+01
      4   0.104858D+02 -0.818053D+01 -0.212093D+01 -0.294706D+02 -0.213826D+02
      5   0.480736D+01 -0.231303D+01 -0.732812D+01 -0.137271D+02 -0.163433D+02
      6   0.186971D+01 -0.400090D+01 -0.156745D+01 -0.104542D+02 -0.882129D+01
                96            97            98            99           100 
      1  -0.592507D+01  0.226406D+02 -0.780648D+01 -0.932534D+01 -0.829596D+01
      2  -0.691299D+01 -0.805736D+01 -0.457951D+01  0.126559D+02  0.494468D+01
      3   0.128381D+02 -0.145833D+02  0.123860D+02 -0.333055D+01  0.335128D+01
      4  -0.156894D+02 -0.127889D+02 -0.754474D+01  0.181882D+02 -0.100821D+02
      5   0.138793D+02 -0.196061D+02  0.187637D+02 -0.156855D+02  0.132107D+02
      6  -0.718306D+01  0.115273D+01 -0.169458D+01  0.566881D+01  0.221710D+01
               101           102           103           104           105 
      1  -0.108556D+02  0.289833D+01 -0.163390D+02  0.153407D+01  0.164775D+02
      2   0.103810D+02 -0.708286D+01  0.171423D+02 -0.859970D+01 -0.164033D+02
      3   0.474585D+00  0.418453D+01 -0.803326D+00  0.706563D+01 -0.742581D-01
      4  -0.628500D+01  0.992681D+01 -0.712832D+01  0.441663D+01  0.851193D+00
      5   0.103267D+02 -0.239021D+01  0.267960D+02  0.132500D+01 -0.226088D+02
      6   0.388499D+01 -0.795920D+00 -0.542533D+00  0.347349D+01 -0.234756D+01
               106           107           108           109           110 
      1   0.231485D+02  0.133448D+02 -0.883627D+00  0.470740D+02  0.161248D+02
      2  -0.154446D+02 -0.839200D+01  0.937718D+01 -0.292984D+02 -0.988141D+01
      3  -0.770398D+01 -0.495277D+01 -0.849355D+01 -0.177756D+02 -0.624339D+01
      4   0.173231D+02  0.157356D+02 -0.205509D+02  0.198149D+02  0.201766D+02
      5  -0.106821D+02 -0.203506D+02  0.262872D+02 -0.341097D+02 -0.107541D+02
      6  -0.353427D+01 -0.420903D+01  0.355387D+01 -0.466516D+01 -0.424847D+01
               111           112           113           114           115 
      1  -0.233506D+02  0.292631D+02  0.649112D+01 -0.830113D+01 -0.401913D+02
      2   0.172672D+02 -0.162692D+02 -0.266619D+01  0.991311D+01  0.270311D+02
      3   0.608343D+01 -0.129939D+02 -0.382493D+01 -0.161198D+01  0.131602D+02
      4  -0.831905D+01  0.215420D+02  0.354367D+02 -0.167073D+02 -0.983580D+01
      5   0.234145D+02 -0.191144D+02 -0.171699D+02  0.227154D+02  0.418759D+02
      6   0.334275D+01 -0.547639D+01 -0.818089D+01  0.112719D+02  0.192361D+01
               116           117           118           119           120 
      1  -0.401609D+01  0.908787D+01  0.257467D+01 -0.669857D+01  0.138814D+02
      2   0.801166D+01 -0.287858D+02  0.790182D+00  0.250489D+01 -0.573601D+01
      3  -0.399557D+01  0.196979D+02 -0.336485D+01  0.419368D+01 -0.814537D+01
      4  -0.283647D+02  0.205933D+02 -0.659602D+00 -0.184361D+01 -0.155641D+02
      5   0.203936D+02 -0.615321D+02  0.185983D+02 -0.121132D+02 -0.689865D+01
      6   0.123430D+02 -0.843794D+01 -0.771317D+01  0.620100D+01  0.383766D+01
               121           122           123           124           125 
      1  -0.983939D+01 -0.113664D+02 -0.107108D+02  0.264057D+02 -0.169788D+02
      2  -0.937962D+00  0.282964D+02  0.523010D+01 -0.926137D+01  0.336598D+01
      3   0.107774D+02 -0.169300D+02  0.548068D+01 -0.171443D+02  0.136129D+02
      4   0.157880D+02 -0.368504D+02  0.124115D+02 -0.289541D+02  0.278917D+02
      5  -0.134770D+02  0.138881D+02  0.236364D+01 -0.926678D+01  0.461339D+01
      6   0.553133D+01 -0.183178D+01  0.473504D+01  0.644114D+01  0.228801D+01
               126           127           128           129           130 
      1  -0.108422D+02  0.208652D+01 -0.326230D+01  0.157414D+01 -0.914036D+00
      2   0.472798D+01  0.303955D+00  0.501941D+01 -0.298017D+00  0.158375D+01
      3   0.611418D+01 -0.239048D+01 -0.175711D+01 -0.127612D+01 -0.669714D+00
      4   0.675998D+01  0.108198D+02  0.911285D+01 -0.682438D+01  0.864614D+01
      5   0.234402D+02 -0.127495D+02 -0.771622D+01  0.100129D+02 -0.976818D+01
      6  -0.905340D+01 -0.861527D+01 -0.728411D+01  0.734823D+01 -0.800008D+01
               131           132           133           134           135 
      1  -0.884034D+01  0.798443D+01  0.411706D+01  0.105563D+02 -0.128040D+02
      2   0.853596D+01 -0.345199D+01 -0.493077D+00 -0.661094D+01  0.166503D+01
      3   0.304379D+00 -0.453245D+01 -0.362398D+01 -0.394534D+01  0.111390D+02
      4   0.104605D+02 -0.713588D+01 -0.734116D+01 -0.739840D+01  0.800737D+01
      5  -0.887979D+01  0.983814D+01  0.109502D+02  0.906453D+01 -0.145613D+02
      6  -0.123843D+02  0.115613D+02  0.882631D+01  0.134464D+02 -0.156442D+02
               136           137           138           139           140 
      1  -0.287565D+01  0.198285D+01 -0.558458D+01  0.337137D+01 -0.788490D+01
      2  -0.310764D+01  0.447059D-01 -0.370454D+01  0.185669D+00  0.225566D+01
      3   0.598329D+01 -0.202756D+01  0.928912D+01 -0.355704D+01  0.562924D+01
      4  -0.488368D+01  0.397680D+01 -0.532505D+01  0.323423D+01 -0.369970D+01
      5   0.877885D+01 -0.383852D+01  0.108423D+02 -0.384885D+01  0.338551D+01
      6  -0.496189D+01  0.349308D+01 -0.505789D+01  0.381286D+01 -0.860068D+01
               141           142           143           144           145 
      1   0.125218D+02 -0.741791D+01  0.120907D+02 -0.274857D+02  0.541749D+01
      2   0.291607D+00 -0.211047D+01 -0.238350D+01 -0.631506D+01 -0.310891D+01
      3  -0.128134D+02  0.952838D+01 -0.970717D+01  0.338008D+02 -0.230858D+01
      4   0.432967D+01 -0.602578D+01  0.638930D+01 -0.933956D+01  0.492299D+01
      5  -0.460280D+01  0.102270D+02 -0.559534D+01  0.154353D+02 -0.105006D+02
      6   0.112740D+02 -0.760676D+01  0.128947D+02 -0.205605D+02 -0.362350D+01
               146           147           148           149           150 
      1  -0.136205D+01  0.644154D+00 -0.249411D+01 -0.547933D+01  0.603146D+01
      2   0.179137D+01  0.128144D+01  0.737104D+00  0.386547D+01 -0.795665D+00
      3  -0.429318D+00 -0.192560D+01  0.175701D+01  0.161386D+01 -0.523579D+01
      4   0.484793D+01 -0.289480D+01  0.501719D+01  0.566846D+01 -0.331758D+01
      5  -0.402472D+01  0.740731D+01 -0.640057D+01 -0.572194D+01  0.726765D+01
      6  -0.321513D+01  0.348474D+01 -0.423158D+01 -0.699853D+01  0.662232D+01
               151           152           153           154           155 
      1   0.304228D+01  0.642795D+01 -0.101929D+02 -0.890531D+00  0.476504D+00
      2   0.995970D+00 -0.281923D+01 -0.143808D+01 -0.417285D+01  0.959369D+00
      3  -0.403825D+01 -0.360872D+01  0.116310D+02  0.506338D+01 -0.143587D+01
      4  -0.447941D+01 -0.406487D+01  0.373066D+01 -0.308536D+01  0.267401D+01
      5   0.883067D+01  0.550323D+01 -0.115793D+02  0.753830D+01 -0.296838D+01
      6   0.512844D+01  0.757301D+01 -0.941632D+01 -0.209207D+01  0.223552D+01
               156           157           158           159           160 
      1  -0.343092D+01  0.295969D+01 -0.573929D+01  0.100281D+02 -0.236662D+01
      2  -0.464295D+01  0.213949D+00  0.678703D+00  0.182576D+01 -0.503573D+01
      3   0.807387D+01 -0.317364D+01  0.506059D+01 -0.118539D+02  0.740235D+01
      4  -0.333702D+01  0.250107D+01 -0.252652D+01  0.352009D+01 -0.512706D+01
      5   0.976547D+01 -0.296410D+01  0.317185D+01 -0.387343D+01  0.998083D+01
      6  -0.142943D+01  0.266699D+01 -0.542417D+01  0.656706D+01 -0.370552D+01
               161           162           163           164           165 
      1   0.686589D+01 -0.226080D+02  0.145659D+02  0.717503D+01 -0.224474D+01
      2   0.470009D+00 -0.101305D+02 -0.107194D+01  0.201056D+00  0.737444D+00
      3  -0.733590D+01  0.327385D+02 -0.134940D+02 -0.737609D+01  0.150730D+01
      4   0.519922D+01 -0.685558D+01  0.144991D+02  0.172153D+02  0.143881D+01
      5  -0.444413D+01  0.155313D+02 -0.191800D+01  0.194145D+01  0.351565D+01
      6   0.790985D+01 -0.109880D+02  0.742623D+00  0.146955D+01  0.856792D+00
               166           167           168           169           170 
      1   0.113194D+02 -0.112354D+02 -0.158595D+00 -0.149753D+02  0.529645D+00
      2   0.404921D+01  0.329082D+02  0.427538D+00  0.467032D+01 -0.324147D+01
      3  -0.153686D+02 -0.216729D+02 -0.268944D+00  0.103050D+02  0.271183D+01
      4   0.276414D+02  0.559488D+02  0.279056D+01 -0.303399D+01 -0.666180D+01
      5   0.324348D+01  0.165101D+01  0.510456D+01  0.555340D+01  0.613546D+01
      6   0.304107D+01  0.700042D+01  0.527028D+01  0.203246D+01  0.555776D+01
               171           172           173           174           175 
      1  -0.124767D+01  0.525225D+01 -0.232028D+01  0.638357D+01 -0.108103D+02
      2   0.125506D+01 -0.727717D+01  0.150562D+01 -0.570191D+01  0.657637D+01
      3  -0.738706D-02  0.202492D+01  0.814665D+00 -0.681662D+00  0.423394D+01
      4   0.630452D+01 -0.136595D+01  0.432531D+01  0.220991D+01  0.484936D+01
      5   0.177139D+01  0.111284D+02  0.137578D+01  0.131481D+02 -0.196893D+01
      6   0.273191D+00  0.100209D+01  0.108458D+01  0.152978D+01  0.106419D+01
               176           177           178           179           180 
      1  -0.607080D+00 -0.626803D+00  0.108877D+02 -0.221409D+01 -0.121068D+02
      2   0.353937D+00  0.227367D+01 -0.115647D+02  0.543119D+00 -0.154058D+02
      3   0.253143D+00 -0.164687D+01  0.676957D+00  0.167097D+01  0.275126D+02
      4   0.294880D+01  0.511665D+01  0.304284D+01  0.658039D+01  0.467803D+01
      5   0.521264D+01 -0.469419D+01  0.184368D+02  0.450871D+01  0.451242D+02
      6   0.653669D+00  0.414595D+01  0.345018D+01  0.555837D+01  0.110231D+02
               181           182           183           184           185 
      1  -0.248139D+01  0.689153D+01 -0.101336D+02  0.130669D+02 -0.797780D+01
      2  -0.246237D+01 -0.281772D+01  0.347113D+01 -0.626333D+01  0.332409D+01
      3   0.494376D+01 -0.407381D+01  0.666247D+01 -0.680359D+01  0.465371D+01
      4   0.721721D+01 -0.177875D+01 -0.640352D+00 -0.781356D+00 -0.774157D+00
      5  -0.783624D+01 -0.659401D+00 -0.457995D+00  0.619184D+00 -0.742800D+01
      6  -0.154246D+00  0.154911D+00 -0.118692D+00  0.409141D+00 -0.190724D+01
               186           187           188           189           190 
      1   0.176109D+01 -0.171242D+02  0.235931D+00 -0.212154D+02  0.129783D+02
      2   0.351833D+00  0.792575D+01  0.223782D+01 -0.901404D+01 -0.342259D+01
      3  -0.211292D+01  0.919846D+01 -0.247376D+01  0.302294D+02 -0.955573D+01
      4  -0.714791D+01 -0.971498D+00 -0.846360D+01  0.678445D+01  0.179289D+02
      5   0.641787D+01  0.991079D+00  0.668611D+01 -0.552224D+02 -0.677326D+01
      6   0.644555D+01 -0.293383D+00  0.371672D+01 -0.190144D+01 -0.134526D+01
               191           192           193           194           195 
      1   0.162072D+02 -0.637107D+01  0.324275D+02  0.200833D+02 -0.787198D+00
      2  -0.568128D+01  0.282275D+01 -0.107361D+02  0.752895D+01 -0.107761D+01
      3  -0.105259D+02  0.354832D+01 -0.216914D+02 -0.276122D+02  0.186480D+01
      4   0.204997D+02 -0.270433D+01  0.420840D+02  0.892271D+02 -0.127208D+02
      5  -0.275468D+01  0.644608D+01 -0.470879D+01 -0.142431D+02  0.129685D+02
      6  -0.645208D+00  0.620593D+00 -0.216750D+01 -0.476197D+01  0.575506D+01
               196           197           198           199           200 
      1  -0.126172D+02 -0.202652D+01  0.791463D+01  0.229996D+02 -0.473603D+01
      2   0.572224D+01 -0.531886D+00 -0.400284D+01 -0.148899D+02  0.287072D+01
      3   0.689493D+01  0.255840D+01 -0.391179D+01 -0.810961D+01  0.186531D+01
      4  -0.635439D+01 -0.158253D+02  0.114369D+02 -0.439691D+01  0.584177D+01
      5   0.140064D+02  0.122849D+02 -0.344887D+01  0.190256D+02  0.122464D+00
      6   0.238124D+01  0.618818D+01 -0.262143D+01  0.554201D+00  0.161665D+00
               201           202           203           204           205 
      1   0.171968D+02 -0.128224D+02  0.713075D+01 -0.131182D+01  0.389475D+02
      2  -0.107829D+02  0.756600D+01 -0.330909D+01  0.145491D+01 -0.249010D+02
      3  -0.641390D+01  0.525638D+01 -0.382166D+01 -0.143091D+00 -0.140465D+02
      4   0.296215D+00  0.119487D+02  0.267074D+01  0.835397D+01  0.259132D+01
      5   0.221179D+02 -0.297583D+01  0.799826D+01 -0.791777D+01  0.425224D+02
      6   0.907521D+00  0.155558D+01 -0.913003D+00  0.395017D+01  0.113268D+01
               206           207           208           209           210 
      1   0.276635D+01  0.250895D+02  0.940213D+02 -0.260653D+02 -0.301505D+02
      2  -0.102189D+01 -0.261631D+02 -0.492853D+02  0.134563D+02  0.166132D+02
      3  -0.174446D+01  0.107364D+01 -0.447360D+02  0.126090D+02  0.135373D+02
      4   0.124473D+02 -0.333568D+01 -0.268971D+02  0.194740D+02  0.863966D+01
      5  -0.246325D+01  0.765188D+02 -0.343244D+02  0.933296D+01  0.243175D+02
      6   0.417106D+01  0.323313D+01  0.140401D+01 -0.937145D+00 -0.439753D+00
               211           212           213           214           215 
      1  -0.531468D+02  0.235483D+02  0.124892D+02 -0.519803D+02  0.998674D+01
      2   0.271382D+02 -0.961822D+01 -0.721903D+01  0.289642D+02 -0.612751D+01
      3   0.260086D+02 -0.139300D+02 -0.527020D+01  0.230160D+02 -0.385923D+01
      4   0.305006D+02 -0.193462D+02 -0.144677D+02  0.120684D+02 -0.167201D+02
      5   0.162947D+02 -0.149785D+02 -0.165414D+02  0.379179D+02 -0.131213D+02
      6  -0.255343D+01  0.216063D+01  0.253300D+01 -0.153697D+01  0.276858D+01
               216           217           218           219           220 
      1   0.281461D+02  0.328890D+02 -0.185564D+02 -0.126210D+02 -0.155796D+02
      2  -0.190552D+02 -0.820667D+01 -0.421786D+00  0.440935D+01 -0.217983D+01
      3  -0.909096D+01 -0.246823D+02  0.189782D+02  0.821170D+01  0.177594D+02
      4  -0.125037D+02 -0.390841D+02  0.359660D+02  0.139384D+02  0.349267D+02
      5  -0.248940D+02 -0.182479D+02  0.108641D+02  0.147366D+02  0.109948D+02
      6   0.219551D+01  0.905958D+01 -0.637358D+01 -0.783355D+01 -0.728102D+01
               221           222           223           224           225 
      1   0.952973D+01  0.280104D+01 -0.182878D+02  0.437317D+01  0.762823D+01
      2   0.113309D+02  0.406423D+01  0.632479D+01  0.491134D+01 -0.253918D+01
      3  -0.208606D+02 -0.686527D+01  0.119630D+02 -0.928451D+01 -0.508904D+01
      4  -0.430102D+02 -0.173728D+02  0.216213D+02 -0.266162D+02 -0.210065D+02
      5  -0.161835D+02 -0.125124D+02  0.199668D+02 -0.183574D+02 -0.174563D+02
      6   0.113935D+02  0.925377D+01 -0.103046D+02  0.121428D+02  0.100944D+02
               226           227           228           229           230 
      1   0.266866D+01 -0.611176D+01  0.704207D+01 -0.368662D+01 -0.102309D+01
      2  -0.831829D+00  0.137224D+01 -0.426374D+01  0.843644D-01  0.311502D+01
      3  -0.183683D+01  0.473952D+01 -0.277833D+01  0.360226D+01 -0.209193D+01
      4  -0.941451D+01  0.100370D+02 -0.497018D+01  0.848245D+01 -0.104721D+02
      5   0.899177D+01 -0.321556D+01  0.117284D+02 -0.210831D+01  0.900315D+01
      6  -0.344202D+01  0.148168D+01 -0.417878D+01  0.217406D+01 -0.637387D+01
               231           232           233           234           235 
      1   0.352838D+01  0.114237D+02  0.567306D+01 -0.438305D+01 -0.560042D+02
      2  -0.419726D+01 -0.661540D+01 -0.667902D+01 -0.487478D+01  0.319341D+02
      3   0.668878D+00 -0.480826D+01  0.100596D+01  0.925783D+01  0.240701D+02
      4   0.938504D+01 -0.934513D+01  0.187261D+02 -0.209064D+02  0.934951D+01
      5  -0.924524D+01  0.158727D+02 -0.183018D+02  0.490305D+02 -0.490895D+01
      6   0.101592D+02 -0.684268D+01  0.135593D+02 -0.261831D+02  0.456363D+01
               236           237           238           239           240 
      1  -0.195682D+02 -0.954273D+01 -0.137736D+02 -0.160401D+02 -0.334783D+01
      2   0.172743D+02  0.509674D+01  0.125301D+02  0.142670D+02  0.332867D+01
      3   0.229391D+01  0.444599D+01  0.124349D+01  0.177305D+01  0.191593D-01
      4  -0.702747D+01  0.208489D+01 -0.999675D+00 -0.209153D+01 -0.201887D+01
      5  -0.556189D+00 -0.244002D+01 -0.818620D+00 -0.281302D+01 -0.285007D+01
      6   0.202486D+01  0.380090D+01  0.149103D+01  0.247621D+01  0.357040D+01
               241           242           243           244           245 
      1  -0.100675D+02 -0.490953D+01 -0.781823D+01  0.170578D+01 -0.596071D+01
      2   0.485558D+01  0.447125D+01  0.394056D+01 -0.594619D+01  0.421271D+01
      3   0.521196D+01  0.438272D+00  0.387768D+01  0.424041D+01  0.174800D+01
      4   0.198291D+01 -0.456625D+01 -0.407358D+01 -0.768974D+01  0.511984D+01
      5  -0.597524D-01 -0.526509D+01  0.700340D+00  0.114799D+02 -0.314897D+01
      6   0.278987D+01  0.487465D+01  0.973634D+00 -0.366659D+01  0.120657D+01
               246           247           248           249           250 
      1   0.522081D+01 -0.825374D+01 -0.827628D+00  0.332831D+01  0.542120D+01
      2  -0.548263D+01  0.554060D+01 -0.212073D+01  0.328187D+01 -0.799317D+01
      3   0.261824D+00  0.271314D+01  0.294836D+01 -0.661018D+01  0.257197D+01
      4  -0.268073D+01  0.836421D+01 -0.100082D+02  0.986007D+01 -0.335364D+01
      5   0.122573D+02 -0.426423D+01  0.104317D+02 -0.133034D+02  0.176989D+02
      6  -0.102794D+01  0.295839D+01 -0.594240D+01  0.752090D+01 -0.185674D+01
               251           252           253           254           255 
      1   0.161080D+01 -0.519807D+01 -0.404559D+02 -0.317064D+02 -0.326058D+02
      2   0.485660D+01 -0.150668D+02  0.208809D+02  0.179003D+02  0.120183D+02
      3  -0.646741D+01  0.202649D+02  0.195750D+02  0.138061D+02  0.205875D+02
      4   0.117856D+02 -0.111015D+02 -0.408898D+02 -0.602898D+01 -0.113479D+02
      5  -0.109759D+02  0.350491D+02 -0.378221D+02 -0.717519D+01  0.171483D+01
      6   0.667151D+01 -0.631473D+01 -0.193836D+02  0.272916D+01  0.939673D+01
               256           257           258           259           260 
      1  -0.198065D+02 -0.116345D+01 -0.965965D+00 -0.310718D+02  0.123691D+00
      2   0.187198D+02  0.105014D+02  0.141764D+02  0.120973D+02  0.123873D+02
      3   0.108675D+01 -0.933797D+01 -0.132104D+02  0.189745D+02 -0.125110D+02
      4   0.115684D+02  0.249544D+02  0.145723D+02 -0.857570D+01  0.919223D+01
      5  -0.286292D+00  0.154750D+02 -0.114076D+02  0.426136D+01 -0.166007D+02
      6   0.867671D+01  0.130356D+02 -0.693501D+01  0.752462D+01 -0.135247D+02
               261           262           263           264           265 
      1   0.225704D+02  0.293058D+02 -0.164218D+02 -0.133009D+02 -0.101584D+02
      2  -0.198271D+02 -0.121378D+02  0.510320D+01  0.599909D+01  0.147217D+01
      3  -0.274332D+01 -0.171680D+02  0.113186D+02  0.730177D+01  0.868624D+01
      4  -0.100889D+02 -0.273859D+02  0.223947D+02  0.128494D+02  0.180851D+02
      5   0.581734D+01 -0.179582D+02  0.114306D+02  0.145316D+02  0.794503D+01
      6  -0.412048D+01  0.752287D+01 -0.536751D+01 -0.515607D+01 -0.430582D+01
               266           267           268           269           270 
      1   0.648217D+01  0.324095D+01 -0.222480D+02  0.119974D+02  0.124628D+02
      2   0.272532D+01  0.443569D+00  0.104737D+02 -0.318770D+01 -0.706130D+01
      3  -0.920749D+01 -0.368452D+01  0.117743D+02 -0.880967D+01 -0.540154D+01
      4  -0.238919D+02 -0.996477D+01  0.260460D+02 -0.266361D+02 -0.212008D+02
      5  -0.913094D+01 -0.864708D+01  0.244985D+02 -0.191933D+02 -0.244957D+02
      6   0.639810D+01  0.505203D+01 -0.103050D+02  0.104663D+02  0.113071D+02
               271           272           273           274           275 
      1  -0.137877D+02  0.175325D+02  0.204163D+02  0.826374D+01 -0.161648D+02
      2   0.554290D+01 -0.124750D+02 -0.694818D+01 -0.637028D+01  0.122244D+02
      3   0.824481D+01 -0.505756D+01 -0.134681D+02 -0.189345D+01  0.394033D+01
      4  -0.135707D+01 -0.291699D+01  0.165019D+01  0.689419D+00  0.311509D+01
      5   0.334167D+01 -0.221497D+01 -0.430947D+01  0.117319D+00  0.348015D+01
      6   0.927747D+01 -0.101675D+02 -0.124410D+02 -0.462996D+01  0.114083D+02
               276           277           278           279           280 
      1  -0.114359D+02  0.160973D+02 -0.164792D+02 -0.282825D+02  0.158457D+01
      2   0.686004D+01 -0.537955D+01  0.828540D+01  0.600835D+01  0.182485D+01
      3   0.457589D+01 -0.107178D+02  0.819380D+01  0.222741D+02 -0.340942D+01
      4   0.301655D+01  0.561997D+01  0.723182D+01  0.596316D+01  0.543207D+01
      5   0.597797D+01  0.983636D+00  0.110112D+02  0.160060D+02 -0.356325D+00
      6   0.125748D+02 -0.589527D+01  0.176558D+02  0.229665D+02 -0.107147D+01
               281           282           283           284           285 
      1   0.879129D+01 -0.105788D+01  0.619003D+01 -0.117803D+02  0.504362D+01
      2  -0.706193D+01  0.179815D+01 -0.297018D+01  0.222743D+02 -0.122923D+02
      3  -0.172936D+01 -0.740268D+00 -0.321985D+01 -0.104940D+02  0.724866D+01
      4   0.186477D+01 -0.433070D+00  0.511870D+01  0.147208D+02 -0.882520D+01
      5   0.173528D+01 -0.969708D+00  0.303236D+00 -0.108362D+02  0.961112D+01
      6   0.335808D-01 -0.281486D+01 -0.513703D+00 -0.729761D+01  0.883456D+01
               286           287           288           289           290 
      1  -0.532218D+01  0.878958D+01 -0.846028D+01  0.770656D+02  0.184371D+02
      2   0.192628D+01 -0.190099D+02  0.123254D+02 -0.356080D+02 -0.230500D+01
      3   0.339590D+01  0.102203D+02 -0.386508D+01 -0.414577D+02 -0.161321D+02
      4  -0.644103D+01 -0.177754D+02  0.692634D+01  0.553665D+02  0.302511D+02
      5  -0.825539D+00  0.956122D+01 -0.182360D+02  0.417691D+02  0.142629D+02
      6  -0.205352D+01  0.785773D+01 -0.132651D+02  0.160159D+02  0.937738D+01
               291           292           293           294           295 
      1   0.173513D+02  0.922169D+01  0.916286D+01  0.195811D+01  0.149224D+02
      2  -0.104811D+02  0.124509D+01 -0.374612D+00 -0.608825D+00 -0.103462D+02
      3  -0.687023D+01 -0.104668D+02 -0.878825D+01 -0.134929D+01 -0.457621D+01
      4   0.156663D+02  0.221349D+02  0.141719D+02  0.537877D+01  0.141163D+02
      5   0.209081D+02  0.760769D+01  0.658647D+01  0.522066D+01  0.224211D+02
      6   0.862951D+01  0.646103D+01  0.435261D+01  0.519862D+01  0.879936D+01
               296           297 
      1   0.272066D+01  0.735028D+01
      2  -0.211855D+01 -0.539182D+01
      3  -0.602108D+00 -0.195846D+01
      4   0.743466D+01  0.111147D+02
      5   0.984960D+01  0.144266D+02
      6   0.743361D+01  0.732333D+01
 Leave Link  716 at Mon Sep 27 15:46:40 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.217262D+03  0.985062D+01  0.354589D+01
      2   0.985062D+01  0.140323D+03 -0.977504D+01
      3   0.354589D+01 -0.977504D+01  0.144036D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.368524D+01  0.384663D+01 -0.511547D+01
      2  -0.335439D+02 -0.287661D+01 -0.476612D+02
      3  -0.846681D+01  0.464327D+02 -0.312208D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.267363D+03 -0.232199D+02 -0.548552D+02
      2   0.127917D+03  0.292105D+02  0.346001D+02
      3   0.139446D+03 -0.599063D+01  0.202551D+02
      4   0.193225D+02 -0.914056D+02  0.515507D+01
      5  -0.520505D+01  0.695722D+01 -0.862703D+02
      6   0.115427D+02  0.370039D+02  0.204264D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.818803D+01  0.153961D+01  0.124651D+01 -0.232592D+01 -0.252747D+00
      2   0.153961D+01 -0.702897D+00  0.639035D+00 -0.252747D+00 -0.373206D+01
      3   0.124651D+01  0.639035D+00 -0.283244D+01 -0.202618D+01  0.638452D+00
                 6             7             8             9            10 
      1  -0.202618D+01  0.124509D+02  0.278617D+00  0.103016D+01 -0.280202D+02
      2   0.638452D+00  0.278617D+00 -0.130118D+01  0.146415D+01 -0.145668D+01
      3   0.632499D+00  0.103016D+01  0.146415D+01  0.114389D+01 -0.243320D+01
                11            12            13            14            15 
      1  -0.145668D+01 -0.243320D+01 -0.313181D+01 -0.386984D+01 -0.204133D+01
      2  -0.190018D+01  0.549096D+00 -0.386984D+01 -0.221306D+01 -0.556552D+00
      3   0.549096D+00 -0.252925D+01 -0.204133D+01 -0.556552D+00 -0.137761D+01
                16            17            18            19            20 
      1  -0.545476D+01 -0.215678D+01 -0.176176D+01 -0.105111D+02 -0.223797D+01
      2  -0.215678D+01 -0.442635D+00 -0.900020D+00 -0.223797D+01  0.224344D+01
      3  -0.176176D+01 -0.900020D+00 -0.958625D+00 -0.149238D+01 -0.154190D+01
                21            22            23            24            25 
      1  -0.149238D+01 -0.946462D+01  0.102372D+00 -0.380034D+00  0.673545D+01
      2  -0.154190D+01  0.102372D+00 -0.242007D+01  0.997056D+00  0.206333D+01
      3   0.426024D+00 -0.380034D+00  0.997056D+00  0.268142D+01 -0.178766D+00
                26            27            28            29            30 
      1   0.206333D+01 -0.178766D+00  0.241886D+02  0.295721D+01  0.275405D+01
      2   0.612624D+00  0.152631D+01  0.295721D+01  0.214900D+01  0.231121D-01
      3   0.152631D+01  0.267763D+01  0.275405D+01  0.231121D-01  0.249428D+01
                31            32            33            34            35 
      1   0.196866D+01  0.368437D+01  0.230421D+01  0.239419D+01  0.252307D+01
      2   0.368437D+01  0.166728D+01  0.130182D+01  0.252307D+01  0.176518D+01
      3   0.230421D+01  0.130182D+01  0.940755D+00  0.235656D+01 -0.477155D+00
                36            37            38            39            40 
      1   0.235656D+01 -0.725462D+01 -0.152314D+01 -0.172901D+01  0.348730D+01
      2  -0.477155D+00 -0.152314D+01  0.909413D-01  0.663970D-01  0.102399D+01
      3   0.800141D+00 -0.172901D+01  0.663970D-01  0.268038D+01  0.167529D+01
                41            42            43            44            45 
      1   0.102399D+01  0.167529D+01 -0.121102D+02 -0.113915D+01 -0.919357D+00
      2   0.353144D+01 -0.931939D+00 -0.113915D+01 -0.244217D+00 -0.783485D+00
      3  -0.931939D+00 -0.624407D+00 -0.919357D+00 -0.783485D+00 -0.161013D+01
                46            47            48            49            50 
      1   0.958464D+01  0.196582D+01  0.153948D+01  0.975766D+01 -0.620206D+00
      2   0.196582D+01 -0.117837D+01  0.565502D+00 -0.620206D+00  0.214847D+01
      3   0.153948D+01  0.565502D+00  0.491937D-01  0.112929D+01 -0.154225D+01
                51            52            53            54            55 
      1   0.112929D+01 -0.645381D+01 -0.145594D+01  0.128522D+00  0.162577D+02
      2  -0.154225D+01 -0.145594D+01 -0.758897D+00 -0.125556D+01 -0.136655D+01
      3  -0.247340D+01  0.128522D+00 -0.125556D+01 -0.260549D+01 -0.330363D+00
                56            57            58            59            60 
      1  -0.136655D+01 -0.330363D+00 -0.463477D+01  0.507181D+01  0.992194D+00
      2   0.221216D+01  0.386197D+00  0.507181D+01  0.552361D+01 -0.365548D+00
      3   0.386197D+00  0.108258D+01  0.992194D+00 -0.365548D+00 -0.925363D+00
                61            62            63            64            65 
      1  -0.617752D+01  0.122070D+01  0.261025D+01 -0.251784D+01  0.429281D+01
      2   0.122070D+01 -0.166273D+01 -0.424337D+00  0.429281D+01 -0.188564D+01
      3   0.261025D+01 -0.424337D+00  0.551966D+01  0.137738D+01 -0.429385D+00
                66            67            68            69            70 
      1   0.137738D+01  0.111037D+02 -0.308871D+01 -0.524774D+00  0.833845D+01
      2  -0.429385D+00 -0.308871D+01 -0.445378D+01  0.720220D+00 -0.787095D+00
      3  -0.205475D+01 -0.524774D+00  0.720220D+00  0.172694D+01 -0.302293D+01
                71            72            73            74            75 
      1  -0.787095D+00 -0.302293D+01 -0.283880D+01 -0.366538D+01 -0.221329D+01
      2   0.151299D+01  0.174529D+01 -0.366538D+01  0.186276D+01  0.586802D+00
      3   0.174529D+01 -0.699139D+01 -0.221329D+01  0.586802D+00  0.274408D+01
                76            77            78            79            80 
      1  -0.550752D+01  0.330867D+01  0.878844D+00 -0.399088D+01  0.778859D+00
      2   0.330867D+01  0.554195D+01 -0.211624D+01  0.778859D+00 -0.231537D+01
      3   0.878844D+00 -0.211624D+01 -0.156041D+01  0.414934D+01 -0.125350D+01
                81            82            83            84            85 
      1   0.414934D+01 -0.350329D+01 -0.415335D+01 -0.270699D+01 -0.522454D+01
      2  -0.125350D+01 -0.415335D+01  0.212195D+01  0.765223D+00  0.208445D+01
      3   0.471043D+01 -0.270699D+01  0.765223D+00  0.173531D+01  0.773451D+00
                86            87            88            89            90 
      1   0.208445D+01  0.773451D+00 -0.389944D+01  0.952796D+00  0.258895D+01
      2   0.248589D+01 -0.143093D+01  0.952796D+00 -0.223986D+01 -0.298238D+01
      3  -0.143093D+01 -0.225963D+01  0.258895D+01 -0.298238D+01  0.454274D+01
                91            92            93            94            95 
      1  -0.278693D+01  0.694645D+00 -0.217647D+00  0.652590D+00 -0.472737D+01
      2   0.694645D+00 -0.200228D+01 -0.630288D+00 -0.472737D+01 -0.368956D+01
      3  -0.217647D+00 -0.630288D+00 -0.156434D+01 -0.221947D+01 -0.262414D+01
                96            97            98            99           100 
      1  -0.221947D+01  0.417272D+01 -0.174090D+01 -0.293491D+01 -0.214921D+01
      2  -0.262414D+01 -0.174090D+01 -0.114371D+01  0.263894D+01 -0.171290D+01
      3   0.176409D+01 -0.293491D+01  0.263894D+01 -0.191490D+01  0.101434D+01
               101           102           103           104           105 
      1  -0.171290D+01  0.101434D+01 -0.305391D+01  0.548996D+00  0.241276D+01
      2  -0.142702D+00  0.107407D+01  0.548996D+00 -0.317609D-01  0.346922D+00
      3   0.107407D+01  0.358448D+00  0.241276D+01  0.346922D+00 -0.319943D+01
               106           107           108           109           110 
      1   0.203904D+01  0.151857D+01 -0.678712D+00  0.490117D+01  0.220946D+01
      2   0.151857D+01  0.766546D+00 -0.242810D+01  0.220946D+01  0.148037D+01
      3  -0.678712D+00 -0.242810D+01  0.169915D+01 -0.314721D+01 -0.865449D+00
               111           112           113           114           115 
      1  -0.314721D+01  0.504920D+01  0.176066D+01 -0.174880D+01 -0.721879D+01
      2  -0.865449D+00  0.176066D+01  0.429371D+01 -0.189929D+01 -0.937215D+00
      3   0.153588D+01 -0.174880D+01 -0.189929D+01  0.269023D+01  0.364294D+01
               116           117           118           119           120 
      1  -0.937215D+00  0.364294D+01 -0.788537D+00 -0.258836D-01  0.193453D+01
      2  -0.287787D+01  0.227488D+01 -0.258836D-01 -0.118162D+01 -0.136928D+01
      3   0.227488D+01 -0.671578D+01  0.193453D+01 -0.136928D+01 -0.140177D+01
               121           122           123           124           125 
      1  -0.222651D+01  0.492610D+00 -0.125818D+01  0.413817D+01 -0.265278D+01
      2   0.492610D+00 -0.423177D+01  0.120212D+01 -0.265278D+01  0.313803D+01
      3  -0.125818D+01  0.120212D+01  0.696256D+00 -0.136837D+01  0.498438D+00
               126           127           128           129           130 
      1  -0.136837D+01 -0.349181D+01 -0.191146D+01  0.186413D+01 -0.225346D+01
      2   0.498438D+00 -0.191146D+01 -0.179606D+01  0.130961D+01 -0.168181D+01
      3   0.279153D+01  0.186413D+01  0.130961D+01 -0.145627D+01  0.176761D+01
               131           132           133           134           135 
      1  -0.168181D+01  0.176761D+01  0.214516D+01  0.151514D+01 -0.197942D+01
      2  -0.244383D+01  0.193990D+01  0.151514D+01  0.250106D+01 -0.240543D+01
      3   0.193990D+01 -0.239250D+01 -0.197942D+01 -0.240543D+01  0.355137D+01
               136           137           138           139           140 
      1   0.204273D+01 -0.631793D+00  0.205192D+01 -0.701224D+00  0.402586D+00
      2  -0.631793D+00  0.454333D+00 -0.643986D+00  0.402586D+00 -0.124724D+01
      3   0.205192D+01 -0.643986D+00  0.224487D+01 -0.893766D+00  0.145820D+01
               141           142           143           144           145 
      1  -0.893766D+00  0.201294D+01 -0.117416D+01  0.254360D+01  0.401840D+01
      2   0.145820D+01 -0.117416D+01  0.196341D+01 -0.269646D+01  0.148763D+01
      3  -0.306639D+01  0.254360D+01 -0.269646D+01  0.666260D+01 -0.163115D+01
               146           147           148           149           150 
      1   0.148763D+01 -0.163115D+01  0.176827D+01  0.125333D+01 -0.143594D+01
      2   0.123885D+01 -0.797846D+00  0.125333D+01  0.156000D+01 -0.136038D+01
      3  -0.797846D+00  0.125166D+01 -0.143594D+01 -0.136038D+01  0.199019D+01
               151           152           153           154           155 
      1  -0.206796D+01 -0.130933D+01  0.178170D+01 -0.182657D+01  0.562519D+00
      2  -0.130933D+01 -0.195338D+01  0.181255D+01  0.562519D+00 -0.305290D+00
      3   0.178170D+01  0.181255D+01 -0.334087D+01 -0.186544D+01  0.457834D+00
               156           157           158           159           160 
      1  -0.186544D+01  0.340486D+00 -0.317291D+00  0.682793D+00 -0.240372D+01
      2   0.457834D+00 -0.317291D+00  0.916293D+00 -0.116406D+01  0.109424D+01
      3  -0.204486D+01  0.682793D+00 -0.116406D+01  0.276401D+01 -0.245881D+01
               161           162           163           164           165 
      1   0.109424D+01 -0.245881D+01 -0.312637D+01 -0.167500D+01  0.251670D+00
      2  -0.157096D+01  0.215288D+01 -0.167500D+01 -0.159804D+01 -0.200957D+00
      3   0.215288D+01 -0.657585D+01  0.251670D+00 -0.200957D+00 -0.246187D+00
               166           167           168           169           170 
      1  -0.396581D+01 -0.307299D+01 -0.436738D+00  0.349386D+01  0.284161D+00
      2  -0.307299D+01 -0.837447D+01 -0.406449D+00  0.284161D+00  0.933632D+00
      3  -0.436738D+00 -0.406449D+00 -0.733944D+00 -0.585509D+00 -0.924927D+00
               171           172           173           174           175 
      1  -0.585509D+00 -0.852843D+00  0.327195D+00 -0.132909D+01  0.223085D+01
      2  -0.924927D+00  0.327195D+00 -0.451358D+00 -0.162126D+00 -0.719939D+00
      3  -0.284859D+00 -0.132909D+01 -0.162126D+00 -0.115507D+01  0.251949D+00
               176           177           178           179           180 
      1  -0.719939D+00  0.251949D+00 -0.287564D+01 -0.166699D+00 -0.205893D+01
      2  -0.428677D+00 -0.824451D+00 -0.166699D+00 -0.972541D+00 -0.719729D+00
      3  -0.824451D+00  0.633250D+00 -0.205893D+01 -0.719729D+00 -0.695179D+01
               181           182           183           184           185 
      1   0.680151D+00 -0.997437D+00  0.117870D+01 -0.181721D+01  0.368326D+00
      2  -0.997437D+00  0.397703D+00  0.522084D-01  0.368326D+00  0.542824D-01
      3   0.117870D+01  0.522084D-01  0.662366D+00 -0.109573D+00  0.997049D+00
               186           187           188           189           190 
      1  -0.109573D+00  0.186557D+01  0.846761D-03  0.429381D+00 -0.100024D+01
      2   0.997049D+00  0.846761D-03  0.118687D+01 -0.824332D+00 -0.146037D+01
      3  -0.806685D+00  0.429381D+00 -0.824332D+00  0.726775D+01  0.548236D+00
               191           192           193           194           195 
      1  -0.146037D+01  0.548236D+00 -0.319670D+01 -0.332261D+01  0.328148D+00
      2  -0.138396D+01  0.188961D+00 -0.332261D+01 -0.813053D+01  0.113315D+01
      3   0.188961D+00 -0.465040D+00  0.328148D+00  0.113315D+01 -0.108232D+01
               196           197           198           199           200 
      1   0.120132D+01  0.493352D+00 -0.110686D+01 -0.184959D+01  0.394811D+00
      2   0.493352D+00  0.145318D+01 -0.108726D+01  0.394811D+00 -0.418281D+00
      3  -0.110686D+01 -0.108726D+01  0.299945D+00 -0.145627D+01 -0.134619D-01
               201           202           203           204           205 
      1  -0.145627D+01  0.115189D+01 -0.955616D+00  0.236424D+00 -0.366616D+01
      2  -0.134619D-01 -0.955616D+00 -0.253432D+00 -0.734800D+00 -0.241810D+00
      3  -0.152250D+01  0.236424D+00 -0.734800D+00  0.696915D+00 -0.329641D+01
               206           207           208           209           210 
      1  -0.241810D+00 -0.329641D+01 -0.731508D+01  0.213655D+01  0.249180D+01
      2  -0.107273D+01  0.187364D+00  0.213655D+01 -0.141508D+01 -0.703296D+00
      3   0.187364D+00 -0.664880D+01  0.249180D+01 -0.703296D+00 -0.170718D+01
               211           212           213           214           215 
      1   0.473262D+01 -0.236424D+01 -0.118325D+01  0.468913D+01 -0.957155D+00
      2  -0.236424D+01  0.150502D+01  0.120993D+01 -0.957155D+00  0.140153D+01
      3  -0.118325D+01  0.120993D+01  0.128921D+01 -0.283558D+01  0.105491D+01
               216           217           218           219           220 
      1  -0.283558D+01 -0.432174D+01  0.324186D+01  0.177432D+01  0.270772D+01
      2   0.105491D+01  0.324186D+01 -0.312529D+01 -0.105685D+01 -0.303296D+01
      3   0.189430D+01  0.177432D+01 -0.105685D+01 -0.139173D+01 -0.114822D+01
               221           222           223           224           225 
      1  -0.303296D+01 -0.114822D+01  0.275868D+01 -0.175041D+01 -0.196797D+01
      2   0.425828D+01  0.180195D+01 -0.175041D+01  0.278267D+01  0.206820D+01
      3   0.180195D+01  0.138446D+01 -0.196797D+01  0.206820D+01  0.182181D+01
               226           227           228           229           230 
      1  -0.471630D+00  0.983200D+00 -0.868687D+00  0.793812D+00 -0.647518D+00
      2   0.983200D+00 -0.797298D+00  0.276604D+00 -0.647518D+00  0.121836D+01
      3  -0.868687D+00  0.276604D+00 -0.104314D+01  0.245406D+00 -0.115977D+01
               231           232           233           234           235 
      1   0.245406D+00 -0.166025D+01  0.614689D+00 -0.144706D+01  0.825182D+01
      2  -0.115977D+01  0.614689D+00 -0.232584D+01  0.228608D+01  0.126416D+01
      3   0.122369D+01 -0.144706D+01  0.228608D+01 -0.618287D+01  0.114066D+01
               236           237           238           239           240 
      1   0.126416D+01  0.114066D+01  0.814065D+00  0.157872D+01  0.193492D+00
      2   0.226902D+01  0.264537D+00  0.157872D+01  0.138829D+01  0.508845D+00
      3   0.264537D+00  0.707253D+00  0.193492D+00  0.508845D+00  0.653382D+00
               241           242           243           244           245 
      1   0.112602D+01  0.324774D+00  0.495248D+00 -0.136338D+00 -0.119917D+01
      2   0.324774D+00  0.858595D+00  0.864318D+00 -0.119917D+01  0.552990D+00
      3   0.495248D+00  0.864318D+00  0.191299D+00  0.126577D+01 -0.240154D+00
               246           247           248           249           250 
      1   0.126577D+01 -0.195036D+01  0.976632D+00 -0.418920D+00  0.200642D+01
      2  -0.240154D+00  0.976632D+00 -0.151882D+01  0.153003D+01 -0.273840D+00
      3   0.114253D+01 -0.418920D+00  0.153003D+01 -0.186656D+01  0.200214D+01
               251           252           253           254           255 
      1  -0.273840D+00  0.200214D+01 -0.746352D+01 -0.360437D+01 -0.393208D+01
      2   0.183690D+01 -0.157808D+01 -0.360437D+01  0.916180D+00  0.359149D+00
      3  -0.157808D+01  0.517127D+01 -0.393208D+01  0.359149D+00  0.168994D+01
               256           257           258           259           260 
      1   0.120059D+01  0.343708D+01  0.112909D+01 -0.363134D+01  0.479303D+00
      2   0.343708D+01  0.386448D+01  0.226733D+01  0.479303D+00  0.131265D+01
      3   0.112909D+01  0.226733D+01 -0.198558D+01  0.187204D+01 -0.306191D+01
               261           262           263           264           265 
      1   0.187204D+01  0.361731D+01 -0.243464D+01 -0.168054D+01 -0.164290D+01
      2  -0.306191D+01 -0.243464D+01  0.219813D+01  0.113918D+01  0.171046D+01
      3  -0.880486D-02 -0.168054D+01  0.113918D+01  0.153006D+01  0.873986D+00
               266           267           268           269           270 
      1   0.171046D+01  0.873986D+00 -0.333730D+01  0.246811D+01  0.256416D+01
      2  -0.269555D+01 -0.103501D+01  0.246811D+01 -0.287340D+01 -0.216937D+01
      3  -0.103501D+01 -0.111036D+01  0.256416D+01 -0.216937D+01 -0.276466D+01
               271           272           273           274           275 
      1  -0.158062D+01  0.122128D+01  0.177676D+01  0.546604D+00 -0.935560D+00
      2   0.122128D+01 -0.202460D+01 -0.134509D+01 -0.935560D+00  0.178315D+01
      3   0.177676D+01 -0.134509D+01 -0.216511D+01 -0.534274D+00  0.133619D+01
               276           277           278           279           280 
      1  -0.534274D+00  0.196986D+01 -0.449380D+00 -0.116012D+01  0.382855D+00
      2   0.133619D+01 -0.449380D+00  0.224614D+01  0.259596D+01  0.804321D+00
      3   0.155772D+01 -0.116012D+01  0.259596D+01  0.431179D+01 -0.340307D+00
               281           282           283           284           285 
      1   0.804321D+00 -0.340307D+00  0.823951D+00 -0.372365D-01 -0.988300D-01
      2  -0.632047D+00  0.879487D-01 -0.372365D-01  0.301057D+01 -0.172146D+01
      3   0.879487D-01 -0.462385D+00 -0.988300D-01 -0.172146D+01  0.164405D+01
               286           287           288           289           290 
      1  -0.140922D+01 -0.472475D+00 -0.377522D+00  0.116934D+02  0.397303D+01
      2  -0.472475D+00 -0.324596D+01  0.162500D+01  0.397303D+01  0.275316D+01
      3  -0.377522D+00  0.162500D+01 -0.293241D+01  0.316340D+01  0.120861D+01
               291           292           293           294           295 
      1   0.316340D+01  0.196728D+01  0.184158D+01  0.583358D+00  0.281906D+01
      2   0.120861D+01  0.184158D+01  0.111352D+01  0.484104D+00  0.105456D+01
      3   0.170718D+01  0.583358D+00  0.484104D+00  0.495505D+00  0.194402D+01
               296           297 
      1   0.105456D+01  0.194402D+01
      2   0.729276D+00  0.117674D+01
      3   0.117674D+01  0.142991D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.227985D+01 -0.472777D+00 -0.178157D+01 -0.616688D+01 -0.953782D+00
      2   0.107049D+01 -0.225940D+01  0.229395D+01 -0.544075D+01  0.993599D+00
      3  -0.744235D+01 -0.355973D+01  0.228266D+00  0.101253D+02 -0.103473D+01
                 6             7             8             9            10 
      1  -0.410520D+01 -0.380587D+01  0.250786D+01 -0.734785D+00 -0.114444D+01
      2  -0.102643D+01 -0.555861D+01 -0.121592D+01 -0.498986D+00  0.346432D+01
      3   0.322232D+01 -0.380575D+01 -0.116836D+01  0.308519D+01  0.126410D+02
                11            12            13            14            15 
      1  -0.158890D+01  0.123276D+01 -0.499573D+01  0.418242D+01 -0.626235D+01
      2   0.124295D+01 -0.278273D+01  0.634148D+01  0.296179D+01 -0.293540D+01
      3   0.119821D+01  0.656658D+00  0.139614D+02  0.122805D+01  0.536465D+00
                16            17            18            19            20 
      1   0.671088D+01  0.730803D+00 -0.502699D+01 -0.208674D+01  0.121405D+01
      2  -0.199359D+02 -0.230524D+01  0.139940D+01  0.190941D+01 -0.248028D+01
      3  -0.331130D+01  0.972286D+00 -0.904460D+00  0.248507D+01 -0.957486D+00
                21            22            23            24            25 
      1  -0.134616D+01  0.381719D+01  0.124089D+01  0.119811D-01  0.302533D+01
      2   0.872866D+01  0.201426D+01 -0.268116D+01  0.343148D+01 -0.866584D+01
      3   0.322359D+01  0.132890D+02  0.336079D+01  0.418263D+00  0.199242D+01
                26            27            28            29            30 
      1   0.312805D+01  0.329223D+01  0.120603D+01 -0.178456D+01  0.430687D+01
      2  -0.180937D+00 -0.145877D+00 -0.327199D+01  0.808499D+00 -0.280196D+01
      3  -0.864116D-01 -0.203118D+01 -0.116226D+02 -0.177370D+01 -0.228923D+01
                31            32            33            34            35 
      1  -0.167930D+01  0.494028D+01 -0.539868D+01  0.816719D+01  0.239252D+01
      2   0.636064D+01  0.266309D+01 -0.412800D+01 -0.180088D+02 -0.645909D+01
      3   0.123833D+02  0.794726D+00 -0.106929D+01 -0.893398D+01 -0.866244D+00
                36            37            38            39            40 
      1  -0.393797D+01  0.945157D+00 -0.101132D+01  0.168797D+00 -0.463423D+01
      2  -0.291595D+01  0.566772D+01 -0.139876D+01  0.306281D+01 -0.641510D+01
      3  -0.105363D+01  0.158047D+01 -0.198225D+01  0.278324D+01  0.910888D+01
                41            42            43            44            45 
      1  -0.217274D+01 -0.365646D+01 -0.388312D+01  0.126308D+01 -0.237714D+01
      2   0.106554D+01 -0.197937D+01 -0.151053D+01  0.939288D-01 -0.330976D+00
      3  -0.542301D+00  0.228957D+01  0.803904D+01  0.104578D+01  0.431142D+01
                46            47            48            49            50 
      1  -0.449921D+00  0.246740D+01 -0.122829D+01  0.555587D+01  0.927745D+00
      2  -0.255916D+01 -0.359457D+01  0.869460D+01 -0.453315D+01 -0.337688D+01
      3  -0.108531D+02 -0.322120D+01  0.238871D+01  0.680087D+01  0.164593D+01
                51            52            53            54            55 
      1  -0.219289D+01  0.272813D+01  0.236418D+01  0.370653D+00 -0.164922D+01
      2   0.494913D+01 -0.501064D+01  0.260632D+00 -0.909025D+00  0.554058D+01
      3  -0.554104D+00  0.826909D+01  0.890941D+00 -0.165553D+01 -0.155448D+02
                56            57            58            59            60 
      1   0.208460D+00  0.184380D+00 -0.160033D+00 -0.632294D+01 -0.291337D+01
      2  -0.126548D+01  0.703822D+00 -0.411570D+01  0.617929D+01  0.325335D+01
      3   0.521306D+01  0.155171D+01  0.281859D+02  0.128424D+02 -0.182048D+01
                61            62            63            64            65 
      1   0.131586D+01  0.238315D+01  0.654963D+01  0.191940D+01 -0.484425D+00
      2  -0.199241D+02  0.299097D+01 -0.200135D+02 -0.107807D+02  0.192446D+01
      3   0.963475D+01 -0.608441D+01 -0.522215D+01  0.244974D+02 -0.123938D+02
                66            67            68            69            70 
      1   0.849867D+00  0.117031D+01 -0.933213D+00 -0.270095D+01 -0.132333D+01
      2   0.111486D+02  0.439059D+01 -0.501388D+01 -0.652524D+01  0.100659D+02
      3  -0.188106D+01 -0.114015D+02 -0.174456D+02  0.319491D+01 -0.877880D+01
                71            72            73            74            75 
      1   0.399452D+01  0.162440D+01 -0.107938D+01 -0.318507D+00  0.124911D+01
      2  -0.876013D+01  0.330079D+02  0.141715D+02 -0.320243D+01 -0.137200D+02
      3   0.610821D+01  0.882866D+01 -0.190991D+02  0.107159D+02  0.451580D+01
                76            77            78            79            80 
      1  -0.879817D+00 -0.169714D+01 -0.223375D+01  0.221869D+01  0.153100D+01
      2  -0.498817D+01  0.131288D+02  0.797495D+01 -0.288783D+02  0.673130D+01
      3   0.273514D+02  0.315238D+02 -0.125279D+02  0.615375D+01 -0.132986D+02
                81            82            83            84            85 
      1   0.201773D+01  0.497356D+01 -0.167145D+01 -0.384072D+01 -0.175038D+01
      2  -0.273280D+02  0.991146D+01 -0.368888D+01 -0.481830D+01 -0.415275D+01
      3  -0.976211D+01 -0.266952D+02 -0.448397D+01 -0.210012D+01  0.121397D+01
                86            87            88            89            90 
      1   0.511483D+01  0.314847D+01 -0.606006D+01  0.966030D+01 -0.913381D+01
      2   0.552399D+01  0.863991D+01 -0.126707D+02  0.114461D+02 -0.179024D+02
      3   0.129858D+02 -0.399671D+01 -0.168367D+01 -0.643789D+01 -0.815336D+01
                91            92            93            94            95 
      1  -0.137880D+01 -0.177724D+01  0.922450D+00 -0.430582D+01 -0.187770D+01
      2   0.793334D+01 -0.143205D+01  0.122097D+00 -0.842282D+01 -0.458263D+01
      3  -0.628418D+01  0.107420D+01  0.164088D+01  0.229507D+02  0.105464D+02
                96            97            98            99           100 
      1  -0.700467D+01  0.365994D+01  0.169385D+01  0.391358D+01  0.176357D+01
      2   0.861243D+01 -0.232690D+02  0.929810D+01 -0.475769D+01 -0.159918D+02
      3   0.846651D+01  0.854250D+01  0.514269D+01 -0.996010D+01  0.147809D+02
               101           102           103           104           105 
      1   0.645069D+01 -0.652624D+00  0.297653D+01  0.536909D+01  0.139760D+01
      2   0.578319D+01  0.451309D+01  0.818971D+01  0.179947D+01 -0.878688D+01
      3  -0.456710D+01 -0.428418D+01 -0.546794D+00 -0.214381D+01 -0.468823D+01
               106           107           108           109           110 
      1  -0.291667D+01  0.886663D+00 -0.255225D+01 -0.192262D+01 -0.414163D+01
      2  -0.571037D+01 -0.785133D+01  0.178762D+02 -0.577088D+01 -0.314884D+01
      3  -0.127835D+01 -0.127992D+02  0.734877D+01 -0.100629D+02 -0.850778D+01
               111           112           113           114           115 
      1  -0.919169D+00 -0.864915D+00 -0.590547D+01 -0.273822D+01 -0.216705D-02
      2   0.845454D+01 -0.627401D+01 -0.873257D+01  0.102229D+02  0.927935D+01
      3   0.361406D+01 -0.132095D+01 -0.170636D+02  0.758318D+01 -0.341258D+01
               116           117           118           119           120 
      1   0.774414D+01  0.239219D+00  0.320354D+01 -0.166471D+01 -0.811072D+00
      2   0.961927D+01 -0.303225D+02  0.938996D+01 -0.653450D+01 -0.278194D+01
      3   0.150486D+02 -0.855373D+01  0.325489D+00  0.196159D+01  0.305396D+01
               121           122           123           124           125 
      1   0.138070D+01  0.147435D+01 -0.605494D+01 -0.342779D+01  0.313134D+01
      2  -0.839209D+00  0.450867D+01  0.656035D-01 -0.680056D+01  0.154247D+01
      3   0.245243D+01  0.178547D+02 -0.414970D+01  0.605423D+01 -0.800388D+01
               126           127           128           129           130 
      1   0.565452D+01  0.285849D+00 -0.192940D+01 -0.896326D+00  0.641243D+00
      2   0.106708D+02  0.541846D+01  0.146990D+01 -0.363929D+00  0.188333D+01
      3   0.103526D+01  0.446284D+01 -0.153589D+00 -0.119059D+01  0.398258D+01
               131           132           133           134           135 
      1  -0.507543D+00 -0.297102D+01 -0.713836D+00  0.166841D+01  0.192392D+01
      2   0.526478D+00  0.405041D+00 -0.264585D+01  0.789802D-01 -0.159246D+01
      3  -0.108994D+01 -0.527871D+00 -0.165075D+01  0.159329D+01 -0.183495D-02
               136           137           138           139           140 
      1   0.136514D+01  0.106774D+01  0.212468D+01 -0.491078D+00 -0.815782D+00
      2  -0.356260D+01  0.367126D+00 -0.983243D+00  0.601414D+00  0.599418D-01
      3  -0.307282D+01 -0.248989D+00 -0.179427D+01  0.151965D+01  0.584995D+00
               141           142           143           144           145 
      1  -0.269482D+01  0.497093D+00  0.308677D+01  0.243500D+01 -0.113794D+01
      2  -0.112255D+01 -0.435515D+01  0.261074D+00  0.791515D+00  0.701314D+01
      3   0.534908D+00 -0.238130D+01 -0.676435D+00 -0.155332D+01  0.361711D+01
               146           147           148           149           150 
      1  -0.256330D+01 -0.266995D+00 -0.827008D+00 -0.140766D+01 -0.171625D+01
      2   0.162803D+01 -0.858332D+00  0.276080D+01  0.640529D+00  0.410185D+00
      3  -0.641419D+00 -0.778333D+00  0.259546D+01 -0.937546D+00  0.393840D-01
               151           152           153           154           155 
      1   0.447368D+00  0.264051D+01  0.359446D+00 -0.224191D+00  0.135370D+01
      2  -0.236739D+01 -0.440068D+00 -0.120107D+01 -0.399049D+01  0.527522D+00
      3  -0.580874D+00  0.193859D+01 -0.273032D+00 -0.126844D+01 -0.375340D+00
               156           157           158           159           160 
      1   0.564336D+00  0.191552D+00 -0.133150D+01 -0.887216D+00 -0.158250D+01
      2  -0.782492D+00  0.359649D+00  0.232732D+00 -0.138643D+01 -0.512283D+01
      3  -0.386529D+00  0.100201D+01  0.535733D+00 -0.146488D+00 -0.814750D+00
               161           162           163           164           165 
      1   0.446216D+01 -0.115569D+01  0.123936D+01  0.107550D+01 -0.933915D+00
      2   0.413900D+00  0.163009D+01 -0.360700D+01 -0.714836D+00  0.209583D+01
      3  -0.135747D+01  0.131031D+00 -0.143422D+01 -0.438818D+01 -0.686009D+00
               166           167           168           169           170 
      1   0.145683D+01  0.567499D+01 -0.291411D+01 -0.103434D+01 -0.974141D+00
      2  -0.129451D+01 -0.225112D+01  0.259085D+01  0.182231D+01  0.283184D+01
      3  -0.251618D+01 -0.229863D+02 -0.112314D+01 -0.244686D+01  0.281804D+01
               171           172           173           174           175 
      1   0.123813D+00 -0.175328D+01  0.468058D+00 -0.104281D+01 -0.114268D+00
      2   0.110053D+01  0.473329D+01  0.612827D+00  0.406136D+01  0.119931D+01
      3  -0.175227D+01  0.287809D+01 -0.257043D+01  0.884128D+00 -0.216056D+01
               176           177           178           179           180 
      1  -0.540225D+00  0.276168D+00 -0.188653D+01  0.287067D+01 -0.747920D+01
      2   0.186313D+01 -0.230920D+01  0.608277D+00  0.190996D+01  0.211521D+02
      3  -0.638681D+00 -0.250724D+01  0.198157D+01 -0.334553D+01  0.923517D+00
               181           182           183           184           185 
      1  -0.134766D+01  0.770587D+00 -0.240086D+00  0.293043D+00 -0.160881D+00
      2  -0.693709D+01  0.539988D+00 -0.337280D+01  0.193032D+01 -0.460692D+01
      3  -0.432143D+01  0.125483D+01 -0.249574D+00  0.389432D+01  0.110863D+00
               186           187           188           189           190 
      1  -0.426763D+00 -0.706833D+00  0.325601D+01 -0.120752D+01  0.165415D+00
      2   0.396972D+01 -0.735565D+01  0.400135D+01 -0.312967D+02 -0.318919D+01
      3   0.423785D+01 -0.642411D+00  0.464837D+01 -0.377339D+01 -0.770238D+01
               191           192           193           194           195 
      1   0.143700D+00 -0.624783D+00  0.230490D+00  0.262476D+00 -0.313045D+01
      2  -0.100999D+01  0.314409D+01 -0.155846D+01 -0.692807D+01  0.685047D+01
      3  -0.785763D+01  0.714964D+00 -0.129632D+02 -0.442996D+02  0.630737D+01
               196           197           198           199           200 
      1  -0.547413D+00  0.370972D+00  0.416039D+00 -0.725736D+00  0.491907D+00
      2   0.471166D+01  0.589425D+01 -0.154126D+01  0.784967D+01  0.133175D+00
      3   0.165076D+01  0.804046D+01 -0.503456D+01  0.302769D+01 -0.339512D+01
               201           202           203           204           205 
      1  -0.870045D+00  0.232649D+00 -0.425000D+00 -0.379606D+00 -0.115761D+01
      2   0.952227D+01 -0.852503D+00  0.379301D+01 -0.400537D+01  0.147084D+02
      3   0.638834D+00 -0.441666D+01 -0.869122D+00 -0.390982D+01  0.341746D+00
               206           207           208           209           210 
      1   0.290966D+01 -0.278481D+01  0.906384D+00 -0.926142D+00 -0.270905D-01
      2  -0.140177D+01  0.381504D+02 -0.133583D+02  0.392986D+01  0.117867D+02
      3  -0.664441D+01  0.326343D+01  0.143755D+02 -0.112333D+02 -0.513157D+01
               211           212           213           214           215 
      1  -0.454112D+00  0.104590D+01 -0.546044D+00 -0.633063D+00  0.182475D+01
      2   0.607211D+01 -0.685919D+01 -0.832417D+01  0.141778D+02 -0.611809D+01
      3  -0.134635D+02  0.103388D+02  0.744765D+01 -0.673022D+01  0.944855D+01
               216           217           218           219           220 
      1   0.202089D+00 -0.370123D+01  0.163028D+01  0.419230D+01  0.269043D+01
      2  -0.110992D+02 -0.648854D+01  0.412784D+01  0.684120D+01  0.393535D+01
      3   0.720947D+01  0.466992D+01 -0.854496D+01 -0.898201D+00 -0.413582D+01
               221           222           223           224           225 
      1  -0.309410D+01 -0.432982D+01  0.418368D+01 -0.249115D+01 -0.404467D+01
      2  -0.697504D+01 -0.632523D+01  0.621029D+01 -0.803787D+01 -0.741670D+01
      3   0.124016D+02  0.482961D+01 -0.999872D+00  0.879184D+01  0.495858D+01
               226           227           228           229           230 
      1   0.171650D+01 -0.104257D+00  0.206590D+01 -0.538530D+00  0.163854D+01
      2   0.354116D+01 -0.101485D+01  0.430400D+01 -0.537195D+00  0.405257D+01
      3   0.395567D+01 -0.241729D+01 -0.137023D+00  0.122937D+00  0.357512D+01
               231           232           233           234           235 
      1  -0.371267D+01  0.259629D+01 -0.130624D+01  0.133324D+02 -0.137739D+01
      2  -0.426949D+01  0.176768D+01 -0.838918D+01  0.235294D+02 -0.430728D+01
      3  -0.386511D+01 -0.125465D+01 -0.901178D+01  0.735388D+01  0.263408D+02
               236           237           238           239           240 
      1  -0.147662D+00 -0.237482D+01 -0.154249D+00 -0.974264D+00 -0.181998D+01
      2  -0.754541D+00 -0.131899D+01 -0.535764D+00 -0.189408D+01 -0.118322D+01
      3   0.952742D+01  0.346414D+01  0.105274D+02  0.702715D+01  0.259051D+01
               241           242           243           244           245 
      1  -0.214401D+01 -0.220343D+00 -0.109084D+00 -0.198853D+01  0.842329D+00
      2  -0.455091D+01 -0.267280D+01 -0.481270D+00  0.446644D+01  0.517531D+00
      3   0.328353D+01  0.365038D+01  0.435713D+01  0.412351D+01 -0.227346D+01
               246           247           248           249           250 
      1  -0.690893D+00  0.752420D+00 -0.293941D+01  0.755399D+00 -0.109636D+01
      2   0.325504D+01  0.143991D+01  0.425775D+01 -0.561959D+01  0.198486D+01
      3   0.117822D+01 -0.642367D+00  0.484011D+01 -0.497092D+01  0.291679D+00
               251           252           253           254           255 
      1   0.433051D+01 -0.266192D+01  0.365225D+01  0.121442D+01 -0.482400D+01
      2  -0.520412D+01  0.141407D+02 -0.560372D+01  0.436257D+01  0.123128D+02
      3  -0.618612D+01  0.584708D+01 -0.343814D+01 -0.137434D+02 -0.932832D+01
               256           257           258           259           260 
      1   0.282408D+01 -0.182757D+00  0.728298D+01 -0.250315D+01  0.129265D+02
      2   0.272783D+01  0.442753D+01 -0.927673D+01  0.816625D+01 -0.113417D+02
      3  -0.134310D+02 -0.897958D+01 -0.703233D+01 -0.785143D+01 -0.428161D+01
               261           262           263           264           265 
      1  -0.366881D+01 -0.233472D+01  0.115209D+01  0.270353D+01  0.181921D+01
      2  -0.128809D+01 -0.556042D+01  0.484884D+01  0.602093D+01  0.302447D+01
      3   0.140926D+02  0.460936D+01 -0.653741D+01 -0.208488D+01 -0.336621D+01
               266           267           268           269           270 
      1  -0.170921D+01 -0.222237D+01  0.342502D+01 -0.186137D+01 -0.443112D+01
      2  -0.424254D+01 -0.467606D+01  0.838264D+01 -0.840034D+01 -0.116684D+02
      3   0.821516D+01  0.282168D+01 -0.494155D+01  0.910734D+01  0.572870D+01
               271           272           273           274           275 
      1  -0.257180D+01 -0.963321D+00  0.384875D+01 -0.552561D+00 -0.632892D+00
      2   0.900175D+01 -0.504182D+01 -0.793822D+01 -0.234863D+01  0.538753D+01
      3  -0.897535D+01  0.731912D+01  0.763331D+01  0.566155D+01 -0.695659D+01
               276           277           278           279           280 
      1  -0.295456D+01  0.271474D+01 -0.861964D+00 -0.596920D+01  0.259645D+01
      2   0.520738D+01 -0.793990D+01  0.825793D+01  0.138708D+02 -0.210257D+01
      3  -0.548636D+01  0.615061D+01 -0.752812D+01 -0.112358D+02 -0.335769D+01
               281           282           283           284           285 
      1  -0.801715D+00  0.187465D+01 -0.112900D+00  0.706271D+01 -0.702505D+01
      2  -0.286195D+00 -0.127453D+01 -0.870783D+00 -0.539225D+01  0.523238D+01
      3   0.272140D+01 -0.149992D+01  0.285914D+01 -0.948622D+01  0.572450D+01
               286           287           288           289           290 
      1   0.131085D+01 -0.523020D+01  0.111242D+02 -0.134488D+01  0.180039D+01
      2  -0.264718D+01  0.560970D+01 -0.941178D+01 -0.220276D+01  0.116726D+00
      3  -0.283557D+01  0.972844D+01 -0.680782D+01  0.788051D+01 -0.531937D+01
               291           292           293           294           295 
      1  -0.291701D+01  0.850997D+00  0.536401D+00 -0.190098D+01 -0.265297D+01
      2   0.475163D+01 -0.516732D-01 -0.529070D+00  0.206358D+01  0.241256D+01
      3   0.143463D+01 -0.992876D+00 -0.100916D+01 -0.781484D-01  0.194900D+01
               296           297 
      1  -0.651862D+00 -0.118914D+01
      2   0.260759D+01  0.301114D+01
      3  -0.119736D+01 -0.746476D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.974400D+01 -0.112765D+02  0.202064D+02  0.128288D+02 -0.126323D+02
      2  -0.302745D+01  0.246630D+01 -0.318040D+01 -0.166082D+00  0.202674D+02
      3   0.127715D+02  0.881016D+01 -0.170260D+02 -0.126627D+02 -0.763504D+01
      4  -0.102017D+02 -0.619385D+01  0.809556D+01  0.147667D+01  0.525823D+00
      5   0.107334D+02  0.585101D+01  0.357198D+01  0.791875D+01  0.298724D+01
      6   0.518254D+01 -0.259572D+01  0.374463D+01  0.623078D+01  0.101763D+01
                 6             7             8             9            10 
      1   0.190876D+01 -0.344071D+02 -0.146416D+02  0.891850D+01  0.515867D+02
      2  -0.418156D+01  0.108836D+02  0.768378D+01 -0.938274D+01 -0.199174D+02
      3   0.227280D+01  0.235235D+02  0.695782D+01  0.464239D+00 -0.316693D+02
      4   0.317006D+01 -0.419158D+01  0.289181D+00 -0.502403D+01 -0.911259D+00
      5  -0.731636D+01  0.784023D+01 -0.642128D+01  0.362623D+01  0.232617D+01
      6   0.306662D+00 -0.106941D+02 -0.723675D+01  0.793600D+01  0.223470D+01
                11            12            13            14            15 
      1  -0.373608D+00  0.440054D+01 -0.728334D+01 -0.636387D+01  0.973774D+01
      2   0.194487D+01 -0.454129D+01  0.370359D+01  0.648994D+01 -0.366873D+01
      3  -0.157126D+01  0.140742D+00  0.357975D+01 -0.126072D+00 -0.606900D+01
      4   0.327320D+01 -0.369268D+01  0.780916D+01  0.196448D+01  0.123779D+01
      5  -0.366529D+01  0.429077D+01  0.135193D+02 -0.227281D-01  0.201291D+01
      6  -0.134930D+01  0.286045D+01  0.413187D+01  0.336097D+01  0.108242D+02
                16            17            18            19            20 
      1   0.966648D+01  0.122647D+02 -0.167927D+02  0.135199D+02  0.183892D+02
      2   0.299763D+01  0.344465D+01  0.452061D+01  0.284459D+01 -0.121110D+02
      3  -0.126641D+02 -0.157094D+02  0.122721D+02 -0.163645D+02 -0.627819D+01
      4   0.194797D+02  0.191666D+01 -0.131935D+01  0.469187D+01  0.354267D+01
      5  -0.100151D+02 -0.151745D+00  0.167952D+01 -0.152800D+02  0.193816D+01
      6   0.429589D+01  0.668870D+01 -0.491393D+01 -0.205439D+01  0.449760D+01
                21            22            23            24            25 
      1  -0.181164D+02 -0.783926D+01 -0.183918D+01 -0.168083D+02  0.141983D+02
      2   0.119867D+02  0.110213D+01  0.988731D+01 -0.498118D+01 -0.453793D+01
      3   0.612968D+01  0.673713D+01 -0.804813D+01  0.217895D+02 -0.966032D+01
      4   0.955790D-01  0.116324D+02 -0.605816D+01 -0.866788D+00  0.189054D+01
      5  -0.104533D+02 -0.362785D+01 -0.102486D+01 -0.336236D+00  0.766717D+01
      6  -0.677246D+01 -0.341342D+01 -0.166975D+01  0.218424D+00  0.119402D+02
                26            27            28            29            30 
      1  -0.757235D+01  0.326246D+01  0.579146D+01  0.206554D+01  0.619360D+00
      2  -0.784248D+00 -0.280872D+01  0.283642D-01 -0.184304D+01 -0.274078D+01
      3   0.835660D+01 -0.453732D+00 -0.581982D+01 -0.222499D+00  0.212142D+01
      4  -0.283998D+01  0.814999D+01  0.183492D+01  0.521414D+01 -0.155572D+01
      5   0.752073D+01 -0.575154D+01  0.659766D+01 -0.111908D+01  0.593925D+01
      6   0.999320D+00  0.124259D+02  0.629969D+01  0.250533D+01 -0.867710D+00
                31            32            33            34            35 
      1  -0.125117D+02 -0.896790D+01  0.107177D+02 -0.221722D+00  0.136475D+02
      2  -0.388307D+00  0.360021D+01 -0.434956D+01  0.612250D+01  0.221550D+01
      3   0.129000D+02  0.536769D+01 -0.636812D+01 -0.590078D+01 -0.158630D+02
      4   0.760300D+01  0.245926D+01  0.272893D+01  0.212783D+02  0.399707D+01
      5   0.178083D+02  0.360101D+01  0.158277D+01 -0.676587D+01 -0.321242D+01
      6   0.298807D+01  0.415184D+01  0.100019D+02  0.236090D+01  0.650698D+01
                36            37            38            39            40 
      1  -0.180984D+02  0.154498D+01 -0.910988D+01  0.224932D+02  0.108579D+02
      2   0.489745D+01 -0.809763D+01  0.184586D+01 -0.539561D+01  0.997355D+00
      3   0.132009D+02  0.655265D+01  0.726402D+01 -0.170976D+02 -0.118552D+02
      4  -0.345567D+01 -0.133046D+02 -0.561979D+01  0.544059D+01  0.500276D+01
      5  -0.214401D+01  0.111978D+02  0.343250D+01  0.424823D+01  0.446163D+01
      6  -0.656452D+01  0.398344D+01 -0.346888D+01 -0.461922D+00  0.322298D+01
                41            42            43            44            45 
      1  -0.528120D+01 -0.901858D+00 -0.190008D+02 -0.122442D+02  0.111331D+02
      2   0.115120D+02 -0.138104D+01  0.258681D+01  0.376309D+01 -0.816784D+01
      3  -0.623080D+01  0.228290D+01  0.164140D+02  0.848109D+01 -0.296524D+01
      4   0.432368D+00  0.844138D+00 -0.739607D+01 -0.405643D+01 -0.562451D+01
      5   0.224554D+01 -0.801753D+01  0.927910D+01 -0.525526D+01  0.206808D+01
      6   0.299626D+01  0.175850D+01 -0.123879D+02 -0.471975D+01  0.804275D+01
                46            47            48            49            50 
      1  -0.276798D+01  0.117750D+02 -0.161907D+02 -0.199301D+02  0.290465D+01
      2   0.990659D+01 -0.599462D+01  0.958227D+01  0.716609D+01  0.391392D+01
      3  -0.713862D+01 -0.578039D+01  0.660839D+01  0.127640D+02 -0.681857D+01
      4   0.890779D+01  0.734675D+01 -0.119987D+01  0.130935D+02 -0.423879D+01
      5  -0.145872D+02  0.110034D+01 -0.896147D+01 -0.768742D+01 -0.590776D+00
      6   0.499404D+00  0.303298D+01 -0.598702D+01 -0.269690D+01  0.263904D+01
                51            52            53            54            55 
      1  -0.219420D+02  0.205940D+02 -0.667742D+01  0.188864D+01 -0.523038D+02
      2   0.367298D+00 -0.581075D+01 -0.277045D+00  0.366457D+00  0.197209D+02
      3   0.215747D+02 -0.147833D+02  0.695447D+01 -0.225510D+01  0.325829D+02
      4  -0.324858D+00  0.198712D+01 -0.187547D+01  0.542553D+01  0.103921D+02
      5   0.357038D+00  0.545926D+01  0.498964D+01 -0.541275D+01  0.787932D+01
      6   0.343621D+01  0.859631D+01  0.236846D+01  0.150350D+02  0.145971D+01
                56            57            58            59            60 
      1   0.131212D+02  0.655720D+01  0.418716D+02 -0.108798D+02 -0.593571D+01
      2  -0.914024D+01 -0.112232D+01 -0.300383D+02 -0.117473D+02  0.128388D+01
      3  -0.398098D+01 -0.543488D+01 -0.118333D+02  0.226271D+02  0.465183D+01
      4  -0.152363D+02 -0.209550D+01 -0.335374D+02 -0.395109D+02  0.250732D+01
      5  -0.223836D+01 -0.676661D+01 -0.615591D+01  0.385730D+01  0.566372D+01
      6  -0.163784D+01 -0.979649D+00 -0.378056D+01 -0.201006D+01  0.146285D+01
                61            62            63            64            65 
      1   0.394495D+02 -0.841987D+01 -0.241333D+01 -0.226108D+02 -0.350477D+02
      2  -0.119851D+02  0.598417D+01  0.136024D+02  0.168607D+02  0.149550D+02
      3  -0.274644D+02  0.243570D+01 -0.111891D+02  0.575010D+01  0.200928D+02
      4  -0.720325D+01  0.113244D+02  0.281768D+01 -0.374799D+02  0.146262D+02
      5  -0.198835D+02  0.317051D+01 -0.377814D+02 -0.143888D+02  0.336662D+01
      6  -0.210796D+01  0.555057D+00 -0.619752D+01  0.163560D+01  0.125058D+01
                66            67            68            69            70 
      1  -0.112460D+02 -0.719348D+02  0.270386D+02  0.614089D+00 -0.437693D+02
      2   0.772683D+01  0.364458D+02 -0.157292D+02 -0.554026D+00  0.191256D+02
      3   0.351912D+01  0.354891D+02 -0.113094D+02 -0.600622D-01  0.246437D+02
      4   0.308903D+01  0.246996D+02  0.362583D+02 -0.627334D+01  0.613911D+01
      5   0.156764D+02  0.643684D+01 -0.754745D+01 -0.127079D+02  0.297795D+02
      6  -0.132221D+00 -0.976133D+00  0.232665D+01 -0.196912D+00 -0.974795D+00
                71            72            73            74            75 
      1   0.248056D+01  0.279463D+02  0.279401D+02  0.418522D+02  0.255956D+02
      2  -0.165113D+01 -0.604835D+01 -0.127068D+02 -0.238242D+02 -0.118113D+02
      3  -0.829430D+00 -0.218979D+02 -0.152334D+02 -0.180280D+02 -0.137843D+02
      4  -0.112411D+02 -0.139700D+02  0.423876D+02 -0.198446D+02 -0.654238D+01
      5  -0.136051D+02  0.568437D+02  0.281969D+02 -0.743922D+01 -0.309571D+02
      6   0.351159D+01  0.719047D+00 -0.157126D+00  0.136485D+01 -0.218021D+00
                76            77            78            79            80 
      1   0.577661D+02 -0.277384D+02 -0.117527D+02  0.410349D+02 -0.980697D+01
      2  -0.345821D+02  0.525480D+01  0.759891D+01 -0.172352D+02  0.687312D+01
      3  -0.231840D+02  0.224836D+02  0.415382D+01 -0.237996D+02  0.293385D+01
      4  -0.358866D+02 -0.592278D+02  0.235560D+02 -0.861739D+01  0.241840D+02
      5  -0.112762D+02  0.259679D+02  0.171031D+02 -0.493452D+02  0.145020D+02
      6   0.342908D+01  0.373635D+01 -0.752354D+00  0.388277D-01 -0.111966D+01
                81            82            83            84            85 
      1  -0.399510D+02  0.376731D+02  0.274806D+02  0.200440D+02  0.335454D+02
      2   0.266626D+02 -0.296331D+02 -0.841438D+01 -0.796798D+01 -0.124848D+02
      3   0.132884D+02 -0.803999D+01 -0.190662D+02 -0.120760D+02 -0.210605D+02
      4   0.146685D+02  0.248887D+02 -0.265017D+02 -0.129483D+02 -0.293743D+02
      5  -0.520487D+02  0.197057D+02 -0.894085D+01 -0.146223D+02 -0.888768D+01
      6  -0.278690D+01 -0.125785D+02  0.310138D+01  0.792009D+01  0.472395D+01
                86            87            88            89            90 
      1  -0.262755D+02 -0.274398D+01  0.267079D+02 -0.617553D+01 -0.931371D+01
      2   0.199223D+02 -0.413175D+01 -0.829558D+01 -0.357252D+01  0.344988D+01
      3   0.635325D+01  0.687573D+01 -0.184123D+02  0.974805D+01  0.586383D+01
      4  -0.124403D+02  0.127486D+02 -0.151512D+02  0.203254D+02  0.288073D+02
      5   0.126460D+02  0.184979D+02 -0.233092D+02  0.246067D+02 -0.355600D+02
      6  -0.923873D+01 -0.885350D+01  0.111353D+02 -0.128799D+02  0.164230D+02
                91            92            93            94            95 
      1   0.116544D+02  0.142647D+02  0.815015D+01  0.176036D+02 -0.134618D+01
      2  -0.621393D+01 -0.104047D+02 -0.129015D+01 -0.176790D+02 -0.377095D+01
      3  -0.544043D+01 -0.386001D+01 -0.686000D+01  0.754001D-01  0.511713D+01
      4   0.104858D+02 -0.818053D+01 -0.212093D+01 -0.294706D+02 -0.213826D+02
      5   0.480736D+01 -0.231303D+01 -0.732812D+01 -0.137271D+02 -0.163433D+02
      6   0.186971D+01 -0.400090D+01 -0.156745D+01 -0.104542D+02 -0.882129D+01
                96            97            98            99           100 
      1  -0.592507D+01  0.226406D+02 -0.780648D+01 -0.932534D+01 -0.829596D+01
      2  -0.691299D+01 -0.805736D+01 -0.457951D+01  0.126559D+02  0.494468D+01
      3   0.128381D+02 -0.145833D+02  0.123860D+02 -0.333055D+01  0.335128D+01
      4  -0.156894D+02 -0.127889D+02 -0.754474D+01  0.181882D+02 -0.100821D+02
      5   0.138793D+02 -0.196061D+02  0.187637D+02 -0.156855D+02  0.132107D+02
      6  -0.718306D+01  0.115273D+01 -0.169458D+01  0.566881D+01  0.221710D+01
               101           102           103           104           105 
      1  -0.108556D+02  0.289833D+01 -0.163390D+02  0.153407D+01  0.164775D+02
      2   0.103810D+02 -0.708286D+01  0.171423D+02 -0.859970D+01 -0.164033D+02
      3   0.474585D+00  0.418453D+01 -0.803326D+00  0.706563D+01 -0.742581D-01
      4  -0.628500D+01  0.992681D+01 -0.712832D+01  0.441663D+01  0.851193D+00
      5   0.103267D+02 -0.239021D+01  0.267960D+02  0.132500D+01 -0.226088D+02
      6   0.388499D+01 -0.795920D+00 -0.542533D+00  0.347349D+01 -0.234756D+01
               106           107           108           109           110 
      1   0.231485D+02  0.133448D+02 -0.883627D+00  0.470740D+02  0.161248D+02
      2  -0.154446D+02 -0.839200D+01  0.937718D+01 -0.292984D+02 -0.988141D+01
      3  -0.770398D+01 -0.495277D+01 -0.849355D+01 -0.177756D+02 -0.624339D+01
      4   0.173231D+02  0.157356D+02 -0.205509D+02  0.198149D+02  0.201766D+02
      5  -0.106821D+02 -0.203506D+02  0.262872D+02 -0.341097D+02 -0.107541D+02
      6  -0.353427D+01 -0.420903D+01  0.355387D+01 -0.466516D+01 -0.424847D+01
               111           112           113           114           115 
      1  -0.233506D+02  0.292631D+02  0.649112D+01 -0.830113D+01 -0.401913D+02
      2   0.172672D+02 -0.162692D+02 -0.266619D+01  0.991311D+01  0.270311D+02
      3   0.608343D+01 -0.129939D+02 -0.382493D+01 -0.161198D+01  0.131602D+02
      4  -0.831905D+01  0.215420D+02  0.354367D+02 -0.167073D+02 -0.983580D+01
      5   0.234145D+02 -0.191144D+02 -0.171699D+02  0.227154D+02  0.418759D+02
      6   0.334275D+01 -0.547639D+01 -0.818089D+01  0.112719D+02  0.192361D+01
               116           117           118           119           120 
      1  -0.401609D+01  0.908787D+01  0.257467D+01 -0.669857D+01  0.138814D+02
      2   0.801166D+01 -0.287858D+02  0.790182D+00  0.250489D+01 -0.573601D+01
      3  -0.399557D+01  0.196979D+02 -0.336485D+01  0.419368D+01 -0.814537D+01
      4  -0.283647D+02  0.205933D+02 -0.659602D+00 -0.184361D+01 -0.155641D+02
      5   0.203936D+02 -0.615321D+02  0.185983D+02 -0.121132D+02 -0.689865D+01
      6   0.123430D+02 -0.843794D+01 -0.771317D+01  0.620100D+01  0.383766D+01
               121           122           123           124           125 
      1  -0.983939D+01 -0.113664D+02 -0.107108D+02  0.264057D+02 -0.169788D+02
      2  -0.937962D+00  0.282964D+02  0.523010D+01 -0.926137D+01  0.336598D+01
      3   0.107774D+02 -0.169300D+02  0.548068D+01 -0.171443D+02  0.136129D+02
      4   0.157880D+02 -0.368504D+02  0.124115D+02 -0.289541D+02  0.278917D+02
      5  -0.134770D+02  0.138881D+02  0.236364D+01 -0.926678D+01  0.461339D+01
      6   0.553133D+01 -0.183178D+01  0.473504D+01  0.644114D+01  0.228801D+01
               126           127           128           129           130 
      1  -0.108422D+02  0.208652D+01 -0.326230D+01  0.157414D+01 -0.914036D+00
      2   0.472798D+01  0.303955D+00  0.501941D+01 -0.298017D+00  0.158375D+01
      3   0.611418D+01 -0.239048D+01 -0.175711D+01 -0.127612D+01 -0.669714D+00
      4   0.675998D+01  0.108198D+02  0.911285D+01 -0.682438D+01  0.864614D+01
      5   0.234402D+02 -0.127495D+02 -0.771622D+01  0.100129D+02 -0.976818D+01
      6  -0.905340D+01 -0.861527D+01 -0.728411D+01  0.734823D+01 -0.800008D+01
               131           132           133           134           135 
      1  -0.884034D+01  0.798443D+01  0.411706D+01  0.105563D+02 -0.128040D+02
      2   0.853596D+01 -0.345199D+01 -0.493077D+00 -0.661094D+01  0.166503D+01
      3   0.304379D+00 -0.453245D+01 -0.362398D+01 -0.394534D+01  0.111390D+02
      4   0.104605D+02 -0.713588D+01 -0.734116D+01 -0.739840D+01  0.800737D+01
      5  -0.887979D+01  0.983814D+01  0.109502D+02  0.906453D+01 -0.145613D+02
      6  -0.123843D+02  0.115613D+02  0.882631D+01  0.134464D+02 -0.156442D+02
               136           137           138           139           140 
      1  -0.287565D+01  0.198285D+01 -0.558458D+01  0.337137D+01 -0.788490D+01
      2  -0.310764D+01  0.447059D-01 -0.370454D+01  0.185669D+00  0.225566D+01
      3   0.598329D+01 -0.202756D+01  0.928912D+01 -0.355704D+01  0.562924D+01
      4  -0.488368D+01  0.397680D+01 -0.532505D+01  0.323423D+01 -0.369970D+01
      5   0.877885D+01 -0.383852D+01  0.108423D+02 -0.384885D+01  0.338551D+01
      6  -0.496189D+01  0.349308D+01 -0.505789D+01  0.381286D+01 -0.860068D+01
               141           142           143           144           145 
      1   0.125218D+02 -0.741791D+01  0.120907D+02 -0.274857D+02  0.541749D+01
      2   0.291607D+00 -0.211047D+01 -0.238350D+01 -0.631506D+01 -0.310891D+01
      3  -0.128134D+02  0.952838D+01 -0.970717D+01  0.338008D+02 -0.230858D+01
      4   0.432967D+01 -0.602578D+01  0.638930D+01 -0.933956D+01  0.492299D+01
      5  -0.460280D+01  0.102270D+02 -0.559534D+01  0.154353D+02 -0.105006D+02
      6   0.112740D+02 -0.760676D+01  0.128947D+02 -0.205605D+02 -0.362350D+01
               146           147           148           149           150 
      1  -0.136205D+01  0.644154D+00 -0.249411D+01 -0.547933D+01  0.603146D+01
      2   0.179137D+01  0.128144D+01  0.737104D+00  0.386547D+01 -0.795665D+00
      3  -0.429318D+00 -0.192560D+01  0.175701D+01  0.161386D+01 -0.523579D+01
      4   0.484793D+01 -0.289480D+01  0.501719D+01  0.566846D+01 -0.331758D+01
      5  -0.402472D+01  0.740731D+01 -0.640057D+01 -0.572194D+01  0.726765D+01
      6  -0.321513D+01  0.348474D+01 -0.423158D+01 -0.699853D+01  0.662232D+01
               151           152           153           154           155 
      1   0.304228D+01  0.642795D+01 -0.101929D+02 -0.890531D+00  0.476504D+00
      2   0.995970D+00 -0.281923D+01 -0.143808D+01 -0.417285D+01  0.959369D+00
      3  -0.403825D+01 -0.360872D+01  0.116310D+02  0.506338D+01 -0.143587D+01
      4  -0.447941D+01 -0.406487D+01  0.373066D+01 -0.308536D+01  0.267401D+01
      5   0.883067D+01  0.550323D+01 -0.115793D+02  0.753830D+01 -0.296838D+01
      6   0.512844D+01  0.757301D+01 -0.941632D+01 -0.209207D+01  0.223552D+01
               156           157           158           159           160 
      1  -0.343092D+01  0.295969D+01 -0.573929D+01  0.100281D+02 -0.236662D+01
      2  -0.464295D+01  0.213949D+00  0.678703D+00  0.182576D+01 -0.503573D+01
      3   0.807387D+01 -0.317364D+01  0.506059D+01 -0.118539D+02  0.740235D+01
      4  -0.333702D+01  0.250107D+01 -0.252652D+01  0.352009D+01 -0.512706D+01
      5   0.976547D+01 -0.296410D+01  0.317185D+01 -0.387343D+01  0.998083D+01
      6  -0.142943D+01  0.266699D+01 -0.542417D+01  0.656706D+01 -0.370552D+01
               161           162           163           164           165 
      1   0.686589D+01 -0.226080D+02  0.145659D+02  0.717503D+01 -0.224474D+01
      2   0.470009D+00 -0.101305D+02 -0.107194D+01  0.201056D+00  0.737444D+00
      3  -0.733590D+01  0.327385D+02 -0.134940D+02 -0.737609D+01  0.150730D+01
      4   0.519922D+01 -0.685558D+01  0.144991D+02  0.172153D+02  0.143881D+01
      5  -0.444413D+01  0.155313D+02 -0.191800D+01  0.194145D+01  0.351565D+01
      6   0.790985D+01 -0.109880D+02  0.742623D+00  0.146955D+01  0.856792D+00
               166           167           168           169           170 
      1   0.113194D+02 -0.112354D+02 -0.158595D+00 -0.149753D+02  0.529645D+00
      2   0.404921D+01  0.329082D+02  0.427538D+00  0.467032D+01 -0.324147D+01
      3  -0.153686D+02 -0.216729D+02 -0.268944D+00  0.103050D+02  0.271183D+01
      4   0.276414D+02  0.559488D+02  0.279056D+01 -0.303399D+01 -0.666180D+01
      5   0.324348D+01  0.165101D+01  0.510456D+01  0.555340D+01  0.613546D+01
      6   0.304107D+01  0.700042D+01  0.527028D+01  0.203246D+01  0.555776D+01
               171           172           173           174           175 
      1  -0.124767D+01  0.525225D+01 -0.232028D+01  0.638357D+01 -0.108103D+02
      2   0.125506D+01 -0.727717D+01  0.150562D+01 -0.570191D+01  0.657637D+01
      3  -0.738706D-02  0.202492D+01  0.814665D+00 -0.681662D+00  0.423394D+01
      4   0.630452D+01 -0.136595D+01  0.432531D+01  0.220991D+01  0.484936D+01
      5   0.177139D+01  0.111284D+02  0.137578D+01  0.131481D+02 -0.196893D+01
      6   0.273191D+00  0.100209D+01  0.108458D+01  0.152978D+01  0.106419D+01
               176           177           178           179           180 
      1  -0.607080D+00 -0.626803D+00  0.108877D+02 -0.221409D+01 -0.121068D+02
      2   0.353937D+00  0.227367D+01 -0.115647D+02  0.543119D+00 -0.154058D+02
      3   0.253143D+00 -0.164687D+01  0.676957D+00  0.167097D+01  0.275126D+02
      4   0.294880D+01  0.511665D+01  0.304284D+01  0.658039D+01  0.467803D+01
      5   0.521264D+01 -0.469419D+01  0.184368D+02  0.450871D+01  0.451242D+02
      6   0.653669D+00  0.414595D+01  0.345018D+01  0.555837D+01  0.110231D+02
               181           182           183           184           185 
      1  -0.248139D+01  0.689153D+01 -0.101336D+02  0.130669D+02 -0.797780D+01
      2  -0.246237D+01 -0.281772D+01  0.347113D+01 -0.626333D+01  0.332409D+01
      3   0.494376D+01 -0.407381D+01  0.666247D+01 -0.680359D+01  0.465371D+01
      4   0.721721D+01 -0.177875D+01 -0.640352D+00 -0.781356D+00 -0.774157D+00
      5  -0.783624D+01 -0.659401D+00 -0.457995D+00  0.619184D+00 -0.742800D+01
      6  -0.154246D+00  0.154911D+00 -0.118692D+00  0.409141D+00 -0.190724D+01
               186           187           188           189           190 
      1   0.176109D+01 -0.171242D+02  0.235931D+00 -0.212154D+02  0.129783D+02
      2   0.351833D+00  0.792575D+01  0.223782D+01 -0.901404D+01 -0.342259D+01
      3  -0.211292D+01  0.919846D+01 -0.247376D+01  0.302294D+02 -0.955573D+01
      4  -0.714791D+01 -0.971498D+00 -0.846360D+01  0.678445D+01  0.179289D+02
      5   0.641787D+01  0.991079D+00  0.668611D+01 -0.552224D+02 -0.677326D+01
      6   0.644555D+01 -0.293383D+00  0.371672D+01 -0.190144D+01 -0.134526D+01
               191           192           193           194           195 
      1   0.162072D+02 -0.637107D+01  0.324275D+02  0.200833D+02 -0.787198D+00
      2  -0.568128D+01  0.282275D+01 -0.107361D+02  0.752895D+01 -0.107761D+01
      3  -0.105259D+02  0.354832D+01 -0.216914D+02 -0.276122D+02  0.186480D+01
      4   0.204997D+02 -0.270433D+01  0.420840D+02  0.892271D+02 -0.127208D+02
      5  -0.275468D+01  0.644608D+01 -0.470879D+01 -0.142431D+02  0.129685D+02
      6  -0.645208D+00  0.620593D+00 -0.216750D+01 -0.476197D+01  0.575506D+01
               196           197           198           199           200 
      1  -0.126172D+02 -0.202652D+01  0.791463D+01  0.229996D+02 -0.473603D+01
      2   0.572224D+01 -0.531886D+00 -0.400284D+01 -0.148899D+02  0.287072D+01
      3   0.689493D+01  0.255840D+01 -0.391179D+01 -0.810961D+01  0.186531D+01
      4  -0.635439D+01 -0.158253D+02  0.114369D+02 -0.439691D+01  0.584177D+01
      5   0.140064D+02  0.122849D+02 -0.344887D+01  0.190256D+02  0.122464D+00
      6   0.238124D+01  0.618818D+01 -0.262143D+01  0.554201D+00  0.161665D+00
               201           202           203           204           205 
      1   0.171968D+02 -0.128224D+02  0.713075D+01 -0.131182D+01  0.389475D+02
      2  -0.107829D+02  0.756600D+01 -0.330909D+01  0.145491D+01 -0.249010D+02
      3  -0.641390D+01  0.525638D+01 -0.382166D+01 -0.143091D+00 -0.140465D+02
      4   0.296215D+00  0.119487D+02  0.267074D+01  0.835397D+01  0.259132D+01
      5   0.221179D+02 -0.297583D+01  0.799826D+01 -0.791777D+01  0.425224D+02
      6   0.907521D+00  0.155558D+01 -0.913003D+00  0.395017D+01  0.113268D+01
               206           207           208           209           210 
      1   0.276635D+01  0.250895D+02  0.940213D+02 -0.260653D+02 -0.301505D+02
      2  -0.102189D+01 -0.261631D+02 -0.492853D+02  0.134563D+02  0.166132D+02
      3  -0.174446D+01  0.107364D+01 -0.447360D+02  0.126090D+02  0.135373D+02
      4   0.124473D+02 -0.333568D+01 -0.268971D+02  0.194740D+02  0.863966D+01
      5  -0.246325D+01  0.765188D+02 -0.343244D+02  0.933296D+01  0.243175D+02
      6   0.417106D+01  0.323313D+01  0.140401D+01 -0.937145D+00 -0.439753D+00
               211           212           213           214           215 
      1  -0.531468D+02  0.235483D+02  0.124892D+02 -0.519803D+02  0.998674D+01
      2   0.271382D+02 -0.961822D+01 -0.721903D+01  0.289642D+02 -0.612751D+01
      3   0.260086D+02 -0.139300D+02 -0.527020D+01  0.230160D+02 -0.385923D+01
      4   0.305006D+02 -0.193462D+02 -0.144677D+02  0.120684D+02 -0.167201D+02
      5   0.162947D+02 -0.149785D+02 -0.165414D+02  0.379179D+02 -0.131213D+02
      6  -0.255343D+01  0.216063D+01  0.253300D+01 -0.153697D+01  0.276858D+01
               216           217           218           219           220 
      1   0.281461D+02  0.328890D+02 -0.185564D+02 -0.126210D+02 -0.155796D+02
      2  -0.190552D+02 -0.820667D+01 -0.421786D+00  0.440935D+01 -0.217983D+01
      3  -0.909096D+01 -0.246823D+02  0.189782D+02  0.821170D+01  0.177594D+02
      4  -0.125037D+02 -0.390841D+02  0.359660D+02  0.139384D+02  0.349267D+02
      5  -0.248940D+02 -0.182479D+02  0.108641D+02  0.147366D+02  0.109948D+02
      6   0.219551D+01  0.905958D+01 -0.637358D+01 -0.783355D+01 -0.728102D+01
               221           222           223           224           225 
      1   0.952973D+01  0.280104D+01 -0.182878D+02  0.437317D+01  0.762823D+01
      2   0.113309D+02  0.406423D+01  0.632479D+01  0.491134D+01 -0.253918D+01
      3  -0.208606D+02 -0.686527D+01  0.119630D+02 -0.928451D+01 -0.508904D+01
      4  -0.430102D+02 -0.173728D+02  0.216213D+02 -0.266162D+02 -0.210065D+02
      5  -0.161835D+02 -0.125124D+02  0.199668D+02 -0.183574D+02 -0.174563D+02
      6   0.113935D+02  0.925377D+01 -0.103046D+02  0.121428D+02  0.100944D+02
               226           227           228           229           230 
      1   0.266866D+01 -0.611176D+01  0.704207D+01 -0.368662D+01 -0.102309D+01
      2  -0.831829D+00  0.137224D+01 -0.426374D+01  0.843644D-01  0.311502D+01
      3  -0.183683D+01  0.473952D+01 -0.277833D+01  0.360226D+01 -0.209193D+01
      4  -0.941451D+01  0.100370D+02 -0.497018D+01  0.848245D+01 -0.104721D+02
      5   0.899177D+01 -0.321556D+01  0.117284D+02 -0.210831D+01  0.900315D+01
      6  -0.344202D+01  0.148168D+01 -0.417878D+01  0.217406D+01 -0.637387D+01
               231           232           233           234           235 
      1   0.352838D+01  0.114237D+02  0.567306D+01 -0.438305D+01 -0.560042D+02
      2  -0.419726D+01 -0.661540D+01 -0.667902D+01 -0.487478D+01  0.319341D+02
      3   0.668878D+00 -0.480826D+01  0.100596D+01  0.925783D+01  0.240701D+02
      4   0.938504D+01 -0.934513D+01  0.187261D+02 -0.209064D+02  0.934951D+01
      5  -0.924524D+01  0.158727D+02 -0.183018D+02  0.490305D+02 -0.490895D+01
      6   0.101592D+02 -0.684268D+01  0.135593D+02 -0.261831D+02  0.456363D+01
               236           237           238           239           240 
      1  -0.195682D+02 -0.954273D+01 -0.137736D+02 -0.160401D+02 -0.334783D+01
      2   0.172743D+02  0.509674D+01  0.125301D+02  0.142670D+02  0.332867D+01
      3   0.229391D+01  0.444599D+01  0.124349D+01  0.177305D+01  0.191593D-01
      4  -0.702747D+01  0.208489D+01 -0.999675D+00 -0.209153D+01 -0.201887D+01
      5  -0.556189D+00 -0.244002D+01 -0.818620D+00 -0.281302D+01 -0.285007D+01
      6   0.202486D+01  0.380090D+01  0.149103D+01  0.247621D+01  0.357040D+01
               241           242           243           244           245 
      1  -0.100675D+02 -0.490953D+01 -0.781823D+01  0.170578D+01 -0.596071D+01
      2   0.485558D+01  0.447125D+01  0.394056D+01 -0.594619D+01  0.421271D+01
      3   0.521196D+01  0.438272D+00  0.387768D+01  0.424041D+01  0.174800D+01
      4   0.198291D+01 -0.456625D+01 -0.407358D+01 -0.768974D+01  0.511984D+01
      5  -0.597524D-01 -0.526509D+01  0.700340D+00  0.114799D+02 -0.314897D+01
      6   0.278987D+01  0.487465D+01  0.973634D+00 -0.366659D+01  0.120657D+01
               246           247           248           249           250 
      1   0.522081D+01 -0.825374D+01 -0.827628D+00  0.332831D+01  0.542120D+01
      2  -0.548263D+01  0.554060D+01 -0.212073D+01  0.328187D+01 -0.799317D+01
      3   0.261824D+00  0.271314D+01  0.294836D+01 -0.661018D+01  0.257197D+01
      4  -0.268073D+01  0.836421D+01 -0.100082D+02  0.986007D+01 -0.335364D+01
      5   0.122573D+02 -0.426423D+01  0.104317D+02 -0.133034D+02  0.176989D+02
      6  -0.102794D+01  0.295839D+01 -0.594240D+01  0.752090D+01 -0.185674D+01
               251           252           253           254           255 
      1   0.161080D+01 -0.519807D+01 -0.404559D+02 -0.317064D+02 -0.326058D+02
      2   0.485660D+01 -0.150668D+02  0.208809D+02  0.179003D+02  0.120183D+02
      3  -0.646741D+01  0.202649D+02  0.195750D+02  0.138061D+02  0.205875D+02
      4   0.117856D+02 -0.111015D+02 -0.408898D+02 -0.602898D+01 -0.113479D+02
      5  -0.109759D+02  0.350491D+02 -0.378221D+02 -0.717519D+01  0.171483D+01
      6   0.667151D+01 -0.631473D+01 -0.193836D+02  0.272916D+01  0.939673D+01
               256           257           258           259           260 
      1  -0.198065D+02 -0.116345D+01 -0.965965D+00 -0.310718D+02  0.123691D+00
      2   0.187198D+02  0.105014D+02  0.141764D+02  0.120973D+02  0.123873D+02
      3   0.108675D+01 -0.933797D+01 -0.132104D+02  0.189745D+02 -0.125110D+02
      4   0.115684D+02  0.249544D+02  0.145723D+02 -0.857570D+01  0.919223D+01
      5  -0.286292D+00  0.154750D+02 -0.114076D+02  0.426136D+01 -0.166007D+02
      6   0.867671D+01  0.130356D+02 -0.693501D+01  0.752462D+01 -0.135247D+02
               261           262           263           264           265 
      1   0.225704D+02  0.293058D+02 -0.164218D+02 -0.133009D+02 -0.101584D+02
      2  -0.198271D+02 -0.121378D+02  0.510320D+01  0.599909D+01  0.147217D+01
      3  -0.274332D+01 -0.171680D+02  0.113186D+02  0.730177D+01  0.868624D+01
      4  -0.100889D+02 -0.273859D+02  0.223947D+02  0.128494D+02  0.180851D+02
      5   0.581734D+01 -0.179582D+02  0.114306D+02  0.145316D+02  0.794503D+01
      6  -0.412048D+01  0.752287D+01 -0.536751D+01 -0.515607D+01 -0.430582D+01
               266           267           268           269           270 
      1   0.648217D+01  0.324095D+01 -0.222480D+02  0.119974D+02  0.124628D+02
      2   0.272532D+01  0.443569D+00  0.104737D+02 -0.318770D+01 -0.706130D+01
      3  -0.920749D+01 -0.368452D+01  0.117743D+02 -0.880967D+01 -0.540154D+01
      4  -0.238919D+02 -0.996477D+01  0.260460D+02 -0.266361D+02 -0.212008D+02
      5  -0.913094D+01 -0.864708D+01  0.244985D+02 -0.191933D+02 -0.244957D+02
      6   0.639810D+01  0.505203D+01 -0.103050D+02  0.104663D+02  0.113071D+02
               271           272           273           274           275 
      1  -0.137877D+02  0.175325D+02  0.204163D+02  0.826374D+01 -0.161648D+02
      2   0.554290D+01 -0.124750D+02 -0.694818D+01 -0.637028D+01  0.122244D+02
      3   0.824481D+01 -0.505756D+01 -0.134681D+02 -0.189345D+01  0.394033D+01
      4  -0.135707D+01 -0.291699D+01  0.165019D+01  0.689419D+00  0.311509D+01
      5   0.334167D+01 -0.221497D+01 -0.430947D+01  0.117319D+00  0.348015D+01
      6   0.927747D+01 -0.101675D+02 -0.124410D+02 -0.462996D+01  0.114083D+02
               276           277           278           279           280 
      1  -0.114359D+02  0.160973D+02 -0.164792D+02 -0.282825D+02  0.158457D+01
      2   0.686004D+01 -0.537955D+01  0.828540D+01  0.600835D+01  0.182485D+01
      3   0.457589D+01 -0.107178D+02  0.819380D+01  0.222741D+02 -0.340942D+01
      4   0.301655D+01  0.561997D+01  0.723182D+01  0.596316D+01  0.543207D+01
      5   0.597797D+01  0.983636D+00  0.110112D+02  0.160060D+02 -0.356325D+00
      6   0.125748D+02 -0.589527D+01  0.176558D+02  0.229665D+02 -0.107147D+01
               281           282           283           284           285 
      1   0.879129D+01 -0.105788D+01  0.619003D+01 -0.117803D+02  0.504362D+01
      2  -0.706193D+01  0.179815D+01 -0.297018D+01  0.222743D+02 -0.122923D+02
      3  -0.172936D+01 -0.740268D+00 -0.321985D+01 -0.104940D+02  0.724866D+01
      4   0.186477D+01 -0.433070D+00  0.511870D+01  0.147208D+02 -0.882520D+01
      5   0.173528D+01 -0.969708D+00  0.303236D+00 -0.108362D+02  0.961112D+01
      6   0.335808D-01 -0.281486D+01 -0.513703D+00 -0.729761D+01  0.883456D+01
               286           287           288           289           290 
      1  -0.532218D+01  0.878958D+01 -0.846028D+01  0.770656D+02  0.184371D+02
      2   0.192628D+01 -0.190099D+02  0.123254D+02 -0.356080D+02 -0.230500D+01
      3   0.339590D+01  0.102203D+02 -0.386508D+01 -0.414577D+02 -0.161321D+02
      4  -0.644103D+01 -0.177754D+02  0.692634D+01  0.553665D+02  0.302511D+02
      5  -0.825539D+00  0.956122D+01 -0.182360D+02  0.417691D+02  0.142629D+02
      6  -0.205352D+01  0.785773D+01 -0.132651D+02  0.160159D+02  0.937738D+01
               291           292           293           294           295 
      1   0.173513D+02  0.922169D+01  0.916286D+01  0.195811D+01  0.149224D+02
      2  -0.104811D+02  0.124509D+01 -0.374612D+00 -0.608825D+00 -0.103462D+02
      3  -0.687023D+01 -0.104668D+02 -0.878825D+01 -0.134929D+01 -0.457621D+01
      4   0.156663D+02  0.221349D+02  0.141719D+02  0.537877D+01  0.141163D+02
      5   0.209081D+02  0.760769D+01  0.658647D+01  0.522066D+01  0.224211D+02
      6   0.862951D+01  0.646103D+01  0.435261D+01  0.519862D+01  0.879936D+01
               296           297 
      1   0.272066D+01  0.735028D+01
      2  -0.211855D+01 -0.539182D+01
      3  -0.602108D+00 -0.195846D+01
      4   0.743466D+01  0.111147D+02
      5   0.984960D+01  0.144266D+02
      6   0.743361D+01  0.732333D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.703188D+00      0.178732D+01      0.596187D+01
   x         -0.418088D+00     -0.106267D+01     -0.354469D+01
   y         -0.341455D+00     -0.867891D+00     -0.289497D+01
   z          0.450649D+00      0.114543D+01      0.382076D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159858D+03      0.236885D+02      0.263571D+02
   aniso      0.764522D+02      0.113291D+02      0.126053D+02
   xx         0.208368D+03      0.308769D+02      0.343552D+02
   yx         0.931197D+01      0.137989D+01      0.153534D+01
   yy         0.134084D+03      0.198693D+02      0.221075D+02
   zx         0.307555D+01      0.455749D+00      0.507089D+00
   zy        -0.921756D+01     -0.136590D+01     -0.151977D+01
   zz         0.137123D+03      0.203195D+02      0.226084D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.167207D+03      0.247775D+02      0.275687D+02
   aniso      0.791398D+02      0.117273D+02      0.130484D+02
   xx         0.217262D+03      0.321949D+02      0.358216D+02
   yx         0.985062D+01      0.145971D+01      0.162415D+01
   yy         0.140323D+03      0.207938D+02      0.231362D+02
   zx         0.354589D+01      0.525447D+00      0.584638D+00
   zy        -0.977504D+01     -0.144851D+01     -0.161169D+01
   zz         0.144036D+03      0.213440D+02      0.237484D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.10145150         -0.51474578          3.04519026
     6         -2.22361323         -0.63331010          1.81130981
     6          2.33725247         -0.24980902          1.69946998
     6          2.31707738         -0.08354237         -0.92611061
     6          0.00121780         -0.21453402         -2.17250801
     6         -2.22908876         -0.48735371         -0.81904178
     6         -4.64107380         -0.84653986          3.29313845
     6         -5.46928815          1.64045208          4.56382459
     6         -7.77634742          1.18811662          6.23965148
     6         -5.98559281          3.71401549          2.62336802
     6          4.76486309          0.26687338         -2.38791527
     6          5.04419418         -1.88737721         -4.25775175
     8          4.38298990         -1.85290953         -6.43412741
     8          6.09853045         -3.94921689         -3.17663824
     1          0.16590638         -0.64307097          5.08831814
     1          4.12167492         -0.17830936          2.70048146
     1         -0.05703619         -0.12489036         -4.21573445
     1         -4.00960549         -0.58946142         -1.82430782
     1         -4.42117528         -2.28736851          4.75858178
     1         -6.16176577         -1.49240845          2.05032400
     1         -3.90714111          2.26739457          5.76991374
     1         -7.39574952         -0.24564442          7.67450317
     1         -9.38300498          0.54110389          5.11225885
     1         -8.34633183          2.92012780          7.20502054
     1         -6.53411597          5.47142888          3.55430907
     1         -7.52775484          3.16285746          1.36175967
     1         -4.32724537          4.09694941          1.46220334
     1          6.32176010          0.11021833         -1.04635698
     6          4.88428905          2.82315577         -3.73289574
     1          6.12125891         -5.26872864         -4.44944632
     1          4.66025151          4.34113464         -2.35885364
     1          3.38717392          2.97850394         -5.13525120
     1          6.68869274          3.06476906         -4.69998770

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.703188D+00      0.178732D+01      0.596187D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.703188D+00      0.178732D+01      0.596187D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159858D+03      0.236885D+02      0.263571D+02
   aniso      0.764522D+02      0.113291D+02      0.126053D+02
   xx         0.183110D+03      0.271340D+02      0.301907D+02
   yx        -0.588824D+01     -0.872547D+00     -0.970839D+00
   yy         0.126103D+03      0.186866D+02      0.207917D+02
   zx        -0.319070D+02     -0.472813D+01     -0.526076D+01
   zy         0.651298D+00      0.965124D-01      0.107385D+00
   zz         0.170361D+03      0.252450D+02      0.280888D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.167207D+03      0.247775D+02      0.275687D+02
   aniso      0.791398D+02      0.117273D+02      0.130484D+02
   xx         0.191628D+03      0.283964D+02      0.315952D+02
   yx        -0.578758D+01     -0.857631D+00     -0.954243D+00
   yy         0.131877D+03      0.195422D+02      0.217436D+02
   zx        -0.327433D+02     -0.485205D+01     -0.539863D+01
   zy         0.547582D+00      0.811432D-01      0.902840D-01
   zz         0.178116D+03      0.263940D+02      0.293673D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F15-14\Freq\RM11\Gen\C13H18O2\PIERPA\27-Sep-2021\0\\#P M1
 1/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=R
 ead Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,-0.868055,-1.0251
 83,0.932371\C,-1.434107,-0.545371,-0.248073\C,0.458923,-0.767507,1.247
 518\C,1.261147,-0.015622,0.393477\C,0.704012,0.460918,-0.791509\C,-0.6
 22388,0.197168,-1.104326\C,-2.884143,-0.797677,-0.56093\C,-3.859347,0.
 079867,0.248474\C,-5.302322,-0.340915,-0.025297\C,-3.656246,1.566161,-
 0.03922\C,2.7047,0.290879,0.757917\C,3.609551,-0.230826,-0.341871\O,4.
 016576,0.405594,-1.279125\O,3.899108,-1.541087,-0.173315\H,-1.472172,-
 1.614332,1.612565\H,0.878164,-1.15847,2.166794\H,1.314336,1.031987,-1.
 479725\H,-1.035819,0.574991,-2.031681\H,-3.119764,-1.8476,-0.364999\H,
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 TWO ROADS DIVERGED IN A WOOD, AND I--
 I TOOK THE ONE LESS TRAVELED BY,
 AND THAT HAS MADE ALL THE DIFFERENCE.

                       -- ROBERT FROST
 Job cpu time:       0 days 13 hours 54 minutes 33.1 seconds.
 Elapsed time:       0 days  1 hours 44 minutes 27.7 seconds.
 File lengths (MBytes):  RWF=    604 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Mon Sep 27 15:46:41 2021.
